ACCESSION: MSBNK-Athens_Univ-AU240203
RECORD_TITLE: Fluocinolone acetonide; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
DATE: 2019.05.31
AUTHORS: Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2019 Department of Chemistry, University of Athens
COMMENT: CONFIDENCE standard compound
COMMENT: INTERNAL_ID 2402
CH$NAME: Fluocinolone acetonide
CH$NAME: (1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
CH$COMPOUND_CLASS: N/A; Environmental Standard
CH$FORMULA: C24H30F2O6
CH$EXACT_MASS: 452.2010451
CH$SMILES: CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO
CH$IUPAC: InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1
CH$LINK: CAS
67-73-2
CH$LINK: CHEBI
31623
CH$LINK: KEGG
D01825
CH$LINK: PUBCHEM
CID:6215
CH$LINK: INCHIKEY
FEBLZLNTKCEFIT-VSXGLTOVSA-N
CH$LINK: CHEMSPIDER
5980
CH$LINK: COMPTOX
DTXSID0040674
AC$INSTRUMENT: Bruker maXis Impact
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
AC$MASS_SPECTROMETRY: RESOLUTION 35000
AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo
AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min
AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min
AC$CHROMATOGRAPHY: RETENTION_TIME 8.758 min
AC$CHROMATOGRAPHY: SOLVENT A 90:10 water:methanol with 0.01% formic acid and 5mM ammonium formate
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.01% formic acid and 5mM ammonium formate
MS$FOCUSED_ION: BASE_PEAK 453.2076
MS$FOCUSED_ION: PRECURSOR_M/Z 453.2083
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: RECALIBRATE identity on assigned fragments and MS1
MS$DATA_PROCESSING: WHOLE RMassBank 2.10.1
PK$SPLASH: splash10-00fr-0392000000-6b1b2d59f0a063d9b5e4
PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
115.0389 C5H7O3+ 2 115.039 -0.68
115.0519 C9H7+ 1 115.0542 -20.09
117.0707 C6H10FO+ 3 117.071 -3.14
119.0493 C8H7O+ 3 119.0491 1.73
119.085 C9H11+ 3 119.0855 -4.68
121.064 C8H9O+ 2 121.0648 -6.56
122.0675 C7[13]CH9O+ 1 122.0687 -9.59
123.0432 C7H7O2+ 2 123.0441 -7.32
123.0581 C8H8F+ 1 123.0605 -19.34
123.0796 C8H11O+ 2 123.0804 -6.78
125.0595 C7H9O2+ 3 125.0597 -1.92
127.0372 C6H7O3+ 3 127.039 -13.87
128.0605 C10H8+ 2 128.0621 -12.02
129.0521 C7H7F2+ 2 129.051 7.94
129.0692 C10H9+ 3 129.0699 -5.55
131.0843 C10H11+ 2 131.0855 -9.36
133.064 C9H9O+ 3 133.0648 -6.11
133.1011 C10H13+ 3 133.1012 -0.43
134.0674 C8[13]CH9O+ 1 134.0687 -9.83
135.0417 C8H7O2+ 1 135.0441 -17.29
135.0794 C9H11O+ 3 135.0804 -7.34
136.083 C8[13]CH11O+ 1 136.0843 -9.72
137.0587 C8H9O2+ 3 137.0597 -7.29
137.0752 C9H10F+ 2 137.0761 -6.62
138.0775 C8[13]CH10F+ 1 138.08 -18.21
139.0388 C7H7O3+ 4 139.039 -1.46
139.0541 C11H7+ 3 139.0542 -0.78
139.0741 C8H11O2+ 2 139.0754 -9.27
140.0586 C10[13]CH7+ 1 140.0581 3.29
141.0536 C7H9O3+ 4 141.0546 -7.26
141.0685 C11H9+ 2 141.0699 -9.52
143.084 C11H11+ 2 143.0855 -10.73
145.0643 C10H9O+ 3 145.0648 -3.28
145.0992 C11H13+ 2 145.1012 -13.56
146.0675 C9[13]CH9O+ 1 146.0687 -7.85
147.0796 C10H11O+ 3 147.0804 -5.66
148.0835 C9[13]CH11O+ 1 148.0843 -5.47
149.0599 C9H9O2+ 3 149.0597 1.55
149.0748 C10H10F+ 2 149.0761 -8.64
149.095 C10H13O+ 3 149.0961 -7.64
151.0368 C9H5F2+ 3 151.0354 9.25
151.0744 C9H11O2+ 3 151.0754 -6.1
152.0779 C8[13]CH11O2+ 1 152.0793 -9.18
153.0545 C8H9O3+ 4 153.0546 -0.93
153.0698 C12H9+ 3 153.0699 -0.4
155.0692 C8H11O3+ 4 155.0703 -6.7
155.084 C12H11+ 3 155.0855 -9.75
157.0635 C11H9O+ 3 157.0648 -7.94
157.0993 C12H13+ 2 157.1012 -12.08
158.0708 C11H10O+ 2 158.0726 -11.65
159.0792 C11H11O+ 3 159.0804 -8.06
160.0828 C10[13]CH11O+ 1 160.0843 -9.37
161.059 C7H10FO3+ 3 161.0608 -11.57
161.0761 C11H10F+ 2 161.0761 -0.05
161.0944 C11H13O+ 3 161.0961 -10.46
162.0645 C6[13]CH10FO3+ 1 162.0648 -1.48
163.0528 C13H7+ 3 163.0542 -8.56
163.0745 C10H11O2+ 3 163.0754 -5.09
163.0904 C11H12F+ 2 163.0918 -8.08
165.0696 C13H9+ 3 165.0699 -1.6
165.0881 C10H13O2+ 2 165.091 -17.46
166.0724 C12[13]CH9+ 1 166.0738 -8.03
167.068 C10H9F2+ 3 167.0667 7.76
167.0846 C13H11+ 3 167.0855 -5.51
169.0638 C12H9O+ 3 169.0648 -6.02
169.0832 C10H11F2+ 3 169.0823 5.4
170.0692 C11[13]CH9O+ 1 170.0687 3.02
171.0796 C12H11O+ 3 171.0804 -5.09
172.0822 C11[13]CH11O+ 1 172.0843 -12.45
173.0587 C11H9O2+ 3 173.0597 -6.1
173.0746 C12H10F+ 2 173.0761 -8.88
173.0952 C12H13O+ 3 173.0961 -5.27
174.0986 C11[13]CH13O+ 1 174.1 -8.17
175.0746 C11H11O2+ 3 175.0754 -4.54
175.1117 C12H15O+ 3 175.1117 -0.42
177.0536 C10H9O3+ 4 177.0546 -5.83
177.0707 C11H10FO+ 3 177.071 -1.52
177.0895 C11H13O2+ 3 177.091 -8.45
179.0505 C10H8FO2+ 3 179.0503 1
179.0691 C10H11O3+ 4 179.0703 -6.7
179.0857 C11H12FO+ 3 179.0867 -5.48
179.1063 C11H15O2+ 3 179.1067 -1.73
180.0913 C10[13]CH12FO+ 1 180.0906 4.22
181.0646 C13H9O+ 3 181.0648 -1.09
181.0844 C10H13O3+ 4 181.0859 -8.24
181.1002 C14H13+ 3 181.1012 -5.44
182.0688 C13H10O+ 1 182.0726 -20.71
182.1075 C14H14+ 3 182.109 -8.13
183.0619 C10H9F2O+ 4 183.0616 1.5
183.0799 C13H11O+ 3 183.0804 -2.71
183.1157 C14H15+ 3 183.1168 -5.93
184.0868 C12[13]CH11O+ 1 184.0843 13.19
185.0585 C12H9O2+ 3 185.0597 -6.51
185.0766 C13H10F+ 3 185.0761 2.87
185.0948 C13H13O+ 3 185.0961 -6.95
186.0994 C12[13]CH13O+ 1 186.1 -2.97
187.0569 C9H9F2O2+ 5 187.0565 2.09
187.0741 C12H11O2+ 3 187.0754 -6.55
187.1106 C13H15O+ 3 187.1117 -5.86
188.0771 C11[13]CH11O2+ 1 188.0793 -11.46
189.07 C15H9+ 3 189.0699 0.62
189.0902 C12H13O2+ 3 189.091 -4.25
190.0742 C14[13]CH9+ 1 190.0738 2.3
191.0853 C15H11+ 3 191.0855 -1.11
191.1054 C12H15O2+ 3 191.1067 -6.7
192.0892 C14[13]CH11+ 1 192.0894 -1.01
193.0638 C14H9O+ 3 193.0648 -5.18
193.0857 C11H13O3+ 4 193.0859 -1.09
193.0997 C15H13+ 3 193.1012 -7.75
194.1061 C15H14+ 2 194.109 -15.05
195.0792 C14H11O+ 3 195.0804 -6.45
195.1148 C15H15+ 3 195.1168 -10.19
196.0865 C14H12O+ 3 196.0883 -9.21
197.0593 C13H9O2+ 3 197.0597 -1.93
197.0953 C14H13O+ 3 197.0961 -4.09
198.0992 C13[13]CH13O+ 1 198.1 -3.87
199.0743 C13H11O2+ 3 199.0754 -5.09
199.1114 C14H15O+ 3 199.1117 -1.47
200.1148 C13[13]CH15O+ 1 200.1156 -4.04
201.0696 C16H9+ 3 201.0699 -1.52
201.0895 C13H13O2+ 3 201.091 -7.59
201.1247 C14H17O+ 3 201.1274 -13.43
203.0705 C12H11O3+ 4 203.0703 1.04
203.0849 C16H11+ 3 203.0855 -3.23
205.065 C12H10FO2+ 3 205.0659 -4.72
205.1003 C16H13+ 3 205.1012 -4.35
206.0698 C11[13]CH10FO2+ 1 206.0698 -0.36
206.1041 C15[13]CH13+ 1 206.1051 -4.58
207.0818 C12H12FO2+ 4 207.0816 1.21
207.1132 C16H15+ 2 207.1168 -17.27
208.0871 C15H12O+ 3 208.0883 -5.58
209.0941 C15H13O+ 3 209.0961 -9.4
209.1317 C16H17+ 3 209.1325 -3.6
210.0999 C14[13]CH13O+ 1 210.1 -0.46
211.075 C14H11O2+ 3 211.0754 -1.79
211.1109 C15H15O+ 3 211.1117 -4.11
212.1174 C15H16O+ 3 212.1196 -10.13
213.0728 C11H11F2O2+ 5 213.0722 2.84
213.0903 C14H13O2+ 3 213.091 -3.35
213.1264 C15H17O+ 3 213.1274 -4.62
214.0989 C13[13]CH13O2+ 1 214.0949 18.42
214.1287 C14[13]CH17O+ 1 214.1313 -11.91
215.0694 C13H11O3+ 4 215.0703 -3.93
215.0864 C14H12FO+ 4 215.0867 -1.11
215.1056 C14H15O2+ 3 215.1067 -4.8
215.1227 C15H16F+ 3 215.1231 -1.5
216.0928 C17H12+ 3 216.0934 -2.52
217.0654 C13H10FO2+ 4 217.0659 -2.52
217.0836 C14H11F2+ 4 217.0823 5.67
217.0984 C17H13+ 3 217.1012 -12.62
218.1086 C17H14+ 3 218.109 -2.05
219.0814 C13H12FO2+ 4 219.0816 -0.9
219.1168 C17H15+ 3 219.1168 -0.3
220.0853 C16H12O+ 3 220.0883 -13.4
220.1204 C17H16+ 2 220.1247 -19.46
221.095 C16H13O+ 3 221.0961 -4.73
221.1198 C7H19F2O5+ 3 221.1195 1.26
221.132 C17H17+ 3 221.1325 -1.94
222.1025 C16H14O+ 3 222.1039 -6.37
223.076 C12H12FO3+ 3 223.0765 -2.12
223.1108 C16H15O+ 3 223.1117 -4.09
224.0815 C15H12O2+ 3 224.0832 -7.69
224.1147 C15[13]CH15O+ 1 224.1156 -4.44
225.0907 C15H13O2+ 3 225.091 -1.36
225.1263 C16H17O+ 3 225.1274 -4.65
226.0949 C15H14O2+ 2 226.0988 -17.51
226.1308 C15[13]CH17O+ 1 226.1313 -2.31
227.0695 C14H11O3+ 4 227.0703 -3.48
227.0871 C15H12FO+ 5 227.0867 1.68
227.1056 C15H15O2+ 3 227.1067 -4.79
227.1411 C16H19O+ 3 227.143 -8.41
228.0905 C18H12+ 3 228.0934 -12.45
228.1088 C15H16O2+ 1 228.1145 -24.83
229.0886 C8H15F2O5+ 3 229.0882 1.74
229.0998 C18H13+ 3 229.1012 -6.15
230.1072 C18H14+ 3 230.109 -7.99
231.0806 C17H11O+ 4 231.0804 0.77
231.1172 C18H15+ 4 231.1168 1.53
232.087 C17H12O+ 3 232.0883 -5.26
232.1222 C17[13]CH15+ 1 232.1207 6.34
233.0955 C17H13O+ 3 233.0961 -2.56
233.1307 C15H18FO+ 3 233.1336 -12.35
234.1032 C17H14O+ 3 234.1039 -3.18
234.1386 C14[13]CH18FO+ 1 234.1375 4.77
235.1106 C17H15O+ 3 235.1117 -4.8
235.148 C18H19+ 3 235.1481 -0.39
236.1149 C16[13]CH15O+ 1 236.1156 -3.03
237.0908 C16H13O2+ 3 237.091 -1.08
237.1264 C17H17O+ 3 237.1274 -3.99
238.097 C16H14O2+ 3 238.0988 -7.65
238.1306 C16[13]CH17O+ 1 238.1313 -2.88
239.1058 C16H15O2+ 3 239.1067 -3.38
239.1425 C17H19O+ 3 239.143 -2.22
240.0906 C19H12+ 3 240.0934 -11.41
240.1111 C16H16O2+ 3 240.1145 -14.22
240.1452 C17H20O+ 1 240.1509 -23.67
241.0865 C15H13O3+ 4 241.0859 2.22
241.1014 C19H13+ 4 241.1012 0.92
241.1211 C16H17O2+ 3 241.1223 -4.96
242.0913 C14[13]CH13O3+ 1 242.0898 6.25
242.1257 C15[13]CH17O2+ 1 242.1262 -2.29
243.095 C16H13F2+ 1 243.098 -12.32
243.1169 C19H15+ 4 243.1168 0.44
244.1212 C18[13]CH15+ 1 244.1207 1.87
245.0964 C18H13O+ 4 245.0961 1.25
245.1311 C19H17+ 3 245.1325 -5.64
246.1025 C18H14O+ 3 246.1039 -5.56
246.1347 C19H18+ 1 246.1403 -22.81
247.1108 C18H15O+ 3 247.1117 -3.67
248.0863 C11H14F2O4+ 3 248.0855 3.35
248.1177 C18H16O+ 3 248.1196 -7.67
249.0914 C17H13O2+ 3 249.091 1.78
249.1263 C18H17O+ 3 249.1274 -4.41
250.0991 C17H14O2+ 3 250.0988 0.92
250.1303 C18H18O+ 2 250.1352 -19.84
251.1059 C17H15O2+ 3 251.1067 -2.99
251.1424 C18H19O+ 3 251.143 -2.62
252.1086 C16[13]CH15O2+ 1 252.1106 -7.64
252.1455 C17[13]CH19O+ 1 252.1469 -5.92
253.1217 C17H17O2+ 3 253.1223 -2.45
253.1552 C18H21O+ 3 253.1587 -13.72
254.1255 C16[13]CH17O2+ 1 254.1262 -2.97
255.1173 C14H17F2O2+ 4 255.1191 -7.25
255.1347 C17H19O2+ 3 255.138 -12.82
256.123 C13[13]CH17F2O2+ 1 256.123 -0.05
256.1386 C16[13]CH19O2+ 1 256.1419 -12.77
257.0937 C19H13O+ 3 257.0961 -9.35
257.1065 C12H17O6+ 1 257.102 17.61
257.1328 C20H17+ 4 257.1325 1.13
258.1046 C16H15FO2+ 4 258.1051 -1.64
258.1361 C19[13]CH17+ 1 258.1364 -1.26
259.1111 C19H15O+ 4 259.1117 -2.33
260.1175 C19H16O+ 3 260.1196 -7.89
261.1266 C19H17O+ 3 261.1274 -2.94
262.0991 C18H14O2+ 3 262.0988 1.18
262.1309 C18[13]CH17O+ 1 262.1313 -1.35
263.1063 C18H15O2+ 3 263.1067 -1.5
263.142 C19H19O+ 3 263.143 -4.05
264.1129 C18H16O2+ 3 264.1145 -5.87
264.1462 C18[13]CH19O+ 1 264.1469 -2.78
265.0915 C11H15F2O5+ 3 265.0882 12.5
265.1219 C18H17O2+ 3 265.1223 -1.62
265.1554 C19H21O+ 3 265.1587 -12.44
266.1236 C17[13]CH17O2+ 1 266.1262 -9.77
267.0999 C17H15O3+ 4 267.1016 -6.14
267.1144 C21H15+ 3 267.1168 -8.91
267.1369 C18H19O2+ 3 267.138 -3.85
267.1703 C19H23O+ 3 267.1743 -14.98
268.1091 C17H16O3+ 4 268.1094 -1.08
268.1403 C17[13]CH19O2+ 1 268.1419 -5.85
269.0972 C17H14FO2+ 4 269.0972 -0.26
269.1334 C18H18FO+ 5 269.1336 -0.78
269.1547 C18H21O2+ 3 269.1536 4.09
270.1398 C17[13]CH18FO+ 1 270.1375 8.25
270.1561 C17[13]CH21O2+ 1 270.1575 -5.11
271.1121 C20H15O+ 4 271.1117 1.32
271.1481 C21H19+ 4 271.1481 -0.28
272.1184 C19[13]CH15O+ 1 272.1156 10.29
272.1499 C20[13]CH19+ 1 272.152 -7.69
273.1269 C20H17O+ 4 273.1274 -1.81
274.0969 C19H14O2+ 3 274.0988 -7.04
274.1308 C19[13]CH17O+ 1 274.1313 -1.67
275.1049 C19H15O2+ 3 275.1067 -6.48
275.1415 C20H19O+ 3 275.143 -5.58
276.1121 C19H16O2+ 3 276.1145 -8.61
277.1217 C19H17O2+ 3 277.1223 -2.32
277.158 C20H21O+ 4 277.1587 -2.47
278.092 C18H14O3+ 4 278.0937 -6.16
278.1269 C18[13]CH17O2+ 1 278.1262 2.47
278.1647 C20H22O+ 3 278.1665 -6.36
279.1379 C19H19O2+ 3 279.138 -0.22
279.1758 C20H23O+ 4 279.1743 5.09
280.1411 C18[13]CH19O2+ 1 280.1419 -2.66
280.1763 C19[13]CH23O+ 1 280.1782 -7.03
281.1339 C22H17+ 5 281.1325 5.14
281.1515 C19H21O2+ 3 281.1536 -7.56
282.1368 C21[13]CH17+ 1 282.1364 1.6
282.154 C18[13]CH21O2+ 1 282.1575 -12.51
283.1128 C18H16FO2+ 4 283.1129 -0.22
283.1271 C19H17F2+ 3 283.1293 -7.67
283.1475 C22H19+ 4 283.1481 -2.15
284.1166 C21H16O+ 3 284.1196 -10.3
284.149 C21[13]CH19+ 1 284.152 -10.75
285.1284 C18H18FO2+ 4 285.1285 -0.51
286.0972 C20H14O2+ 3 286.0988 -5.58
286.1327 C21H18O+ 3 286.1352 -8.77
287.1059 C20H15O2+ 3 287.1067 -2.72
287.1452 C15H21F2O3+ 4 287.1453 -0.56
288.1126 C20H16O2+ 3 288.1145 -6.5
289.122 C20H17O2+ 3 289.1223 -1.15
289.1575 C21H21O+ 4 289.1587 -4.26
290.1248 C19[13]CH17O2+ 1 290.1262 -4.97
291.1374 C20H19O2+ 3 291.138 -1.98
291.1732 C21H23O+ 4 291.1743 -4.04
292.1125 C13H18F2O5+ 4 292.1117 2.94
292.1413 C19[13]CH19O2+ 1 292.1419 -1.87
292.1817 C21H24O+ 4 292.1822 -1.62
293.1204 C13H19F2O5+ 4 293.1195 3.01
294.1231 C20H16F2+ 4 294.1215 5.57
295.1324 C19H19O3+ 4 295.1329 -1.75
295.1688 C20H23O2+ 3 295.1693 -1.59
296.1379 C18[13]CH19O3+ 1 296.1368 3.79
297.1272 C22H17O+ 4 297.1274 -0.66
297.1461 C20H19F2+ 4 297.1449 3.93
297.1863 C17H26FO3+ 3 297.186 0.98
298.1339 C22H18O+ 4 298.1352 -4.29
299.1442 C22H19O+ 4 299.143 4.02
300.1469 C21[13]CH19O+ 1 300.1469 -0.28
301.1226 C21H17O2+ 3 301.1223 1.07
301.1574 C22H21O+ 4 301.1587 -4.18
302.1248 C20[13]CH17O2+ 1 302.1262 -4.59
302.1622 C21[13]CH21O+ 1 302.1626 -1.44
303.1243 C14H20FO6+ 5 303.1238 1.48
304.1082 C20H16O3+ 4 304.1094 -3.98
305.1129 C19[13]CH16O3+ 1 305.1133 -1.24
305.1342 C18H19F2O2+ 5 305.1348 -1.8
307.132 C21H17F2+ 4 307.1293 8.84
307.165 C21H23O2+ 3 307.1693 -13.76
308.1346 C20[13]CH17F2+ 1 308.1332 4.63
309.1474 C20H21O3+ 4 309.1485 -3.57
310.1513 C19[13]CH21O3+ 1 310.1524 -3.53
310.1892 C21H26O2+ 3 310.1927 -11.46
311.1434 C23H19O+ 4 311.143 1.27
312.1472 C22[13]CH19O+ 1 312.1469 0.85
313.1305 C16H19F2O4+ 2 313.1246 18.97
313.1416 C20H19F2O+ 5 313.1398 5.68
315.1397 C16H21F2O4+ 3 315.1402 -1.75
317.1338 C22H18FO+ 4 317.1336 0.42
317.1517 C22H21O2+ 3 317.1536 -6.16
319.1329 C21H19O3+ 4 319.1329 0.04
320.1351 C20[13]CH19O3+ 1 320.1368 -5.1
320.1696 C15H25FO6+ 3 320.163 20.73
321.1273 C24H17O+ 4 321.1274 -0.27
322.1317 C23[13]CH17O+ 1 322.1313 1.3
325.1425 C20H21O4+ 5 325.1434 -2.85
325.1744 C22H23F2+ 4 325.1762 -5.58
327.1374 C23H19O2+ 3 327.138 -1.61
327.1579 C14H25F2O6+ 5 327.1614 -10.73
327.1935 C22H25F2+ 4 327.1919 5.05
328.1426 C22[13]CH19O2+ 1 328.1419 2.23
328.1648 C13[13]CH25F2O6+ 1 328.1653 -1.41
329.1542 C20H22FO3+ 3 329.1547 -1.78
330.1581 C19[13]CH22FO3+ 1 330.1587 -1.57
331.1514 C20H21F2O2+ 4 331.1504 2.89
335.1502 C18H23O6+ 3 335.1489 3.71
337.143 C21H21O4+ 4 337.1434 -1.26
337.1786 C22H25O3+ 4 337.1798 -3.49
338.1464 C20[13]CH21O4+ 1 338.1473 -2.64
338.1838 C21[13]CH25O3+ 1 338.1837 0.2
339.1395 C18H21F2O4+ 3 339.1402 -2.08
340.146 C17[13]CH21F2O4+ 1 340.1441 5.38
341.1357 C21H19F2O2+ 4 341.1348 2.68
345.1478 C23H21O3+ 4 345.1485 -1.97
347.1633 C17H25F2O5+ 4 347.1665 -9.08
348.1712 C16[13]CH25F2O5+ 1 348.1704 2.48
349.1607 C20H23F2O3+ 3 349.161 -0.86
355.1534 C21H23O5+ 3 355.154 -1.61
355.1875 C22H27O4+ 4 355.1904 -8.08
356.1569 C20[13]CH23O5+ 1 356.1579 -2.9
356.1957 C21[13]CH27O4+ 1 356.1943 3.9
357.1501 C21H22FO4+ 3 357.1497 1.11
358.1532 C20[13]CH22FO4+ 1 358.1536 -0.91
359.1464 C21H21F2O3+ 3 359.1453 2.99
360.1506 C20[13]CH21F2O3+ 1 360.1492 3.87
365.158 C20H23F2O4+ 2 365.1559 5.84
375.16 C21H24FO5+ 3 375.1602 -0.54
375.1972 C19H29F2O5+ 2 375.1978 -1.52
376.1644 C20[13]CH24FO5+ 1 376.1641 0.62
376.2094 C18[13]CH29F2O5+ 1 376.2017 20.56
377.1543 C24H22FO3+ 2 377.1547 -1.3
378.1562 C23[13]CH22FO3+ 1 378.1587 -6.4
395.1739 C21H25F2O5+ 2 395.1665 18.91
413.1942 C24H29O6+ 1 413.1959 -4.04
414.2006 C23[13]CH29O6+ 1 414.1998 1.95
415.1913 C24H28FO5+ 2 415.1915 -0.49
416.1929 C23[13]CH28FO5+ 1 416.1954 -6.05
433.1985 C24H30FO6+ 1 433.2021 -8.34
453.2133 C24H31F2O6+ 1 453.2083 11.02
PK$NUM_PEAK: 378
PK$PEAK: m/z int. rel.int.
115.0389 308 8
115.0519 728 20
117.0707 464 12
119.0493 364 10
119.085 464 12
121.064 36024 999
122.0675 3148 87
123.0432 480 13
123.0581 304 8
123.0796 728 20
125.0595 1208 33
127.0372 624 17
128.0605 424 11
129.0521 328 9
129.0692 640 17
131.0843 960 26
133.064 4232 117
133.1011 364 10
134.0674 452 12
135.0417 940 26
135.0794 8916 247
136.083 1244 34
137.0587 2128 59
137.0752 2336 64
138.0775 320 8
139.0388 380 10
139.0541 3040 84
139.0741 1896 52
140.0586 352 9
141.0536 880 24
141.0685 1196 33
143.084 1128 31
145.0643 5764 159
145.0992 1360 37
146.0675 908 25
147.0796 9408 260
148.0835 876 24
149.0599 1460 40
149.0748 764 21
149.095 400 11
151.0368 688 19
151.0744 3424 94
152.0779 488 13
153.0545 1520 42
153.0698 1376 38
155.0692 2708 75
155.084 692 19
157.0635 1036 28
157.0993 476 13
158.0708 1168 32
159.0792 10320 286
160.0828 1344 37
161.059 3344 92
161.0761 724 20
161.0944 2016 55
162.0645 312 8
163.0528 572 15
163.0745 2664 73
163.0904 436 12
165.0696 3412 94
165.0881 408 11
166.0724 436 12
167.068 1056 29
167.0846 1084 30
169.0638 2872 79
169.0832 512 14
170.0692 616 17
171.0796 12384 343
172.0822 1736 48
173.0587 764 21
173.0746 520 14
173.0952 2908 80
174.0986 608 16
175.0746 2320 64
175.1117 360 9
177.0536 896 24
177.0707 1956 54
177.0895 628 17
179.0505 448 12
179.0691 1752 48
179.0857 2972 82
179.1063 312 8
180.0913 532 14
181.0646 3492 96
181.0844 576 15
181.1002 632 17
182.0688 1016 28
182.1075 328 9
183.0619 340 9
183.0799 5036 139
183.1157 336 9
184.0868 860 23
185.0585 3404 94
185.0766 552 15
185.0948 4636 128
186.0994 920 25
187.0569 528 14
187.0741 5860 162
187.1106 896 24
188.0771 720 19
189.07 3464 96
189.0902 1112 30
190.0742 848 23
191.0853 2988 82
191.1054 352 9
192.0892 680 18
193.0638 572 15
193.0857 828 22
193.0997 1044 28
194.1061 560 15
195.0792 3504 97
195.1148 1928 53
196.0865 1212 33
197.0593 696 19
197.0953 7708 213
198.0992 1572 43
199.0743 1604 44
199.1114 1660 46
200.1148 348 9
201.0696 336 9
201.0895 1724 47
201.1247 368 10
203.0705 1180 32
203.0849 848 23
205.065 7644 211
205.1003 1672 46
206.0698 1480 41
206.1041 300 8
207.0818 656 18
207.1132 856 23
208.0871 2040 56
209.0941 6304 174
209.1317 660 18
210.0999 1596 44
211.075 2176 60
211.1109 13700 379
212.1174 6936 192
213.0728 448 12
213.0903 2692 74
213.1264 6308 174
214.0989 596 16
214.1287 1068 29
215.0694 408 11
215.0864 1248 34
215.1056 1180 32
215.1227 568 15
216.0928 764 21
217.0654 300 8
217.0836 432 11
217.0984 852 23
218.1086 516 14
219.0814 796 22
219.1168 824 22
220.0853 424 11
220.1204 384 10
221.095 5056 140
221.1198 468 12
221.132 460 12
222.1025 4568 126
223.076 4048 112
223.1108 21444 594
224.0815 1224 33
224.1147 4712 130
225.0907 2248 62
225.1263 5320 147
226.0949 992 27
226.1308 1040 28
227.0695 404 11
227.0871 800 22
227.1056 1384 38
227.1411 876 24
228.0905 396 10
228.1088 424 11
229.0886 632 17
229.0998 992 27
230.1072 844 23
231.0806 876 24
231.1172 2876 79
232.087 832 23
232.1222 912 25
233.0955 1952 54
233.1307 2344 65
234.1032 1920 53
234.1386 524 14
235.1106 10268 284
235.148 592 16
236.1149 2756 76
237.0908 2132 59
237.1264 13924 386
238.097 1112 30
238.1306 2536 70
239.1058 9140 253
239.1425 2996 83
240.0906 508 14
240.1111 3648 101
240.1452 1164 32
241.0865 2936 81
241.1014 2320 64
241.1211 12528 347
242.0913 756 20
242.1257 2976 82
243.095 416 11
243.1169 3240 89
244.1212 688 19
245.0964 628 17
245.1311 1964 54
246.1025 1608 44
246.1347 956 26
247.1108 6248 173
248.0863 308 8
248.1177 2848 78
249.0914 2100 58
249.1263 11148 309
250.0991 940 26
250.1303 3868 107
251.1059 10716 297
251.1424 11076 307
252.1086 1780 49
252.1455 2384 66
253.1217 17820 494
253.1552 980 27
254.1255 3376 93
255.1173 2988 82
255.1347 2444 67
256.123 820 22
256.1386 544 15
257.0937 748 20
257.1065 412 11
257.1328 1796 49
258.1046 2200 61
258.1361 508 14
259.1111 7252 201
260.1175 3000 83
261.1266 20264 561
262.0991 1616 44
262.1309 5012 138
263.1063 3888 107
263.142 10548 292
264.1129 2072 57
264.1462 2408 66
265.0915 460 12
265.1219 5188 143
265.1554 380 10
266.1236 1120 31
267.0999 952 26
267.1144 1080 29
267.1369 3952 109
267.1703 312 8
268.1091 380 10
268.1403 1276 35
269.0972 924 25
269.1334 2136 59
269.1547 852 23
270.1398 592 16
270.1561 304 8
271.1121 1688 46
271.1481 1720 47
272.1184 600 16
272.1499 380 10
273.1269 15204 421
274.0969 712 19
274.1308 3084 85
275.1049 2440 67
275.1415 1884 52
276.1121 3308 91
277.1217 15044 417
277.158 1144 31
278.092 500 13
278.1269 5016 139
278.1647 808 22
279.1379 24056 667
279.1758 1624 45
280.1411 4956 137
280.1763 536 14
281.1339 6556 181
281.1515 4336 120
282.1368 1636 45
282.154 868 24
283.1128 948 26
283.1271 1052 29
283.1475 1420 39
284.1166 404 11
284.149 440 12
285.1284 604 16
286.0972 1244 34
286.1327 516 14
287.1059 520 14
287.1452 668 18
288.1126 400 11
289.122 5552 153
289.1575 472 13
290.1248 1320 36
291.1374 18700 518
291.1732 1016 28
292.1125 444 12
292.1413 4948 137
292.1817 340 9
293.1204 3260 90
294.1231 1604 44
295.1324 6104 169
295.1688 324 8
296.1379 1992 55
297.1272 3008 83
297.1461 3156 87
297.1863 496 13
298.1339 1300 36
299.1442 6064 168
300.1469 1216 33
301.1226 7464 206
301.1574 1680 46
302.1248 1768 49
302.1622 388 10
303.1243 664 18
304.1082 1824 50
305.1129 496 13
305.1342 528 14
307.132 6276 174
307.165 656 18
308.1346 1268 35
309.1474 9764 270
310.1513 2248 62
310.1892 340 9
311.1434 4076 113
312.1472 832 23
313.1305 668 18
313.1416 1356 37
315.1397 1340 37
317.1338 1048 29
317.1517 1004 27
319.1329 14364 398
320.1351 3444 95
320.1696 532 14
321.1273 2032 56
322.1317 636 17
325.1425 1044 28
325.1744 380 10
327.1374 1016 28
327.1579 2984 82
327.1935 612 16
328.1426 356 9
328.1648 648 17
329.1542 2916 80
330.1581 652 18
331.1514 1480 41
335.1502 332 9
337.143 14752 409
337.1786 1932 53
338.1464 3956 109
338.1838 464 12
339.1395 4032 111
340.146 872 24
341.1357 1024 28
345.1478 464 12
347.1633 2696 74
348.1712 640 17
349.1607 740 20
355.1534 8348 231
355.1875 1124 31
356.1569 2208 61
356.1957 320 8
357.1501 4028 111
358.1532 876 24
359.1464 1720 47
360.1506 608 16
365.158 552 15
375.16 1456 40
375.1972 732 20
376.1644 436 12
376.2094 300 8
377.1543 1736 48
378.1562 484 13
395.1739 560 15
413.1942 2136 59
414.2006 716 19
415.1913 2972 82
416.1929 1008 27
433.1985 704 19
453.2133 360 9
//