ACCESSION: MSBNK-Athens_Univ-AU240204
RECORD_TITLE: Fluocinolone acetonide; LC-ESI-QTOF; MS2; CE: 40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV
AC$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 8.724 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$FOCUSED_ION: BASE_PEAK 435.2174
MS$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: splash10-00di-0590000000-506960382c072ba1bc27
PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
115.0538 C9H7+ 3 115.0542 -3.77
117.0701 C9H9+ 3 117.0699 1.91
119.0488 C8H7O+ 3 119.0491 -2.84
119.0852 C9H11+ 3 119.0855 -3.07
121.064 C8H9O+ 2 121.0648 -6.94
122.0667 C7[13]CH9O+ 1 122.0687 -16.69
123.0436 C7H7O2+ 3 123.0441 -3.74
123.0608 C8H8F+ 2 123.0605 2.84
123.0796 C8H11O+ 2 123.0804 -7.02
125.0596 C7H9O2+ 3 125.0597 -1.24
125.0744 C8H10F+ 2 125.0761 -13.35
127.0551 C7H8FO+ 3 127.0554 -2
128.0607 C10H8+ 2 128.0621 -10.72
129.0683 C10H9+ 2 129.0699 -12.01
131.0477 C9H7O+ 2 131.0491 -11.03
131.0846 C10H11+ 3 131.0855 -6.7
132.0558 C9H8O+ 2 132.057 -8.64
132.0883 C9[13]CH11+ 1 132.0894 -8.34
133.0639 C9H9O+ 3 133.0648 -6.95
133.0996 C10H13+ 2 133.1012 -11.59
134.0673 C8[13]CH9O+ 1 134.0687 -10.63
135.0423 C8H7O2+ 2 135.0441 -13.23
135.0596 C9H8F+ 2 135.0605 -6.41
135.0794 C9H11O+ 3 135.0804 -7.97
136.0828 C8[13]CH11O+ 1 136.0843 -11.07
137.0587 C8H9O2+ 3 137.0597 -7.08
137.0753 C9H10F+ 2 137.0761 -5.68
138.0781 C8[13]CH10F+ 1 138.08 -13.82
139.0543 C8H8FO+ 3 139.0554 -7.76
139.0749 C8H11O2+ 3 139.0754 -3.05
140.0591 C7[13]CH8FO+ 1 140.0593 -1.01
141.0529 C7H9O3+ 3 141.0546 -11.92
141.0696 C11H9+ 3 141.0699 -1.77
142.0757 C11H10+ 2 142.0777 -13.81
143.0495 C10H7O+ 3 143.0491 2.18
143.0843 C11H11+ 3 143.0855 -8.8
144.0561 C10H8O+ 3 144.057 -5.81
144.0866 C10[13]CH11+ 1 144.0894 -19.64
145.0639 C10H9O+ 3 145.0648 -6.15
145.0995 C11H13+ 2 145.1012 -11.22
146.0527 C10H7F+ 2 146.0526 0.24
146.0675 C9[13]CH9O+ 1 146.0687 -8.51
147.0793 C10H11O+ 3 147.0804 -8.02
148.0827 C9[13]CH11O+ 1 148.0843 -11.22
149.0587 C9H9O2+ 3 149.0597 -6.68
149.0745 C7H11F2O+ 2 149.0772 -18.76
149.0941 C10H13O+ 2 149.0961 -13.46
150.0816 C6[13]CH11F2O+ 1 150.0812 2.82
151.0377 C8H7O3+ 4 151.039 -8.48
151.0554 C9H8FO+ 3 151.0554 0.15
151.0746 C9H11O2+ 3 151.0754 -4.84
151.0904 C10H12F+ 2 151.0918 -8.75
152.0607 C12H8+ 3 152.0621 -8.99
153.0539 C8H9O3+ 4 153.0546 -4.48
153.0695 C12H9+ 3 153.0699 -2.34
153.0882 C9H13O2+ 1 153.091 -18.35
155.0554 C4H11O6+ 1 155.055 2.47
155.0688 C8H11O3+ 4 155.0703 -9.61
155.0839 C12H11+ 2 155.0855 -10.45
156.0899 C12H12+ 1 156.0934 -22.19
157.0632 C11H9O+ 3 157.0648 -10.15
157.1008 C12H13+ 3 157.1012 -2.49
158.0706 C11H10O+ 2 158.0726 -12.78
159.079 C11H11O+ 3 159.0804 -9.18
160.0645 C11H9F+ 1 160.0683 -23.41
160.0833 C10[13]CH11O+ 1 160.0843 -6.49
161.0586 C10H9O2+ 3 161.0597 -7.16
161.074 C11H10F+ 2 161.0761 -13.23
161.095 C11H13O+ 3 161.0961 -7
162.0496 C7H8F2O2+ 5 162.0487 5.36
162.0638 C10H10O2+ 1 162.0675 -22.86
163.0534 C13H7+ 3 163.0542 -4.78
163.0737 C10H11O2+ 3 163.0754 -10.15
163.0893 C11H12F+ 2 163.0918 -15.01
163.1094 C11H15O+ 2 163.1117 -14.41
164.0584 C12[13]CH7+ 1 164.0581 1.37
165.0698 C13H9+ 3 165.0699 -0.7
165.0903 C10H13O2+ 3 165.091 -4.15
166.0741 C12[13]CH9+ 1 166.0738 1.97
167.0682 C10H9F2+ 3 167.0667 9.2
167.0849 C13H11+ 3 167.0855 -3.47
168.0561 C12H8O+ 3 168.057 -5.23
169.0637 C12H9O+ 3 169.0648 -6.52
169.1008 C13H13+ 3 169.1012 -2.12
170.0701 C11[13]CH9O+ 1 170.0687 8.04
171.0792 C12H11O+ 3 171.0804 -6.97
172.0835 C11[13]CH11O+ 1 172.0843 -5
173.0589 C11H9O2+ 3 173.0597 -4.75
173.0744 C12H10F+ 2 173.0761 -9.65
173.0951 C12H13O+ 3 173.0961 -5.59
174.0648 C11H10O2+ 2 174.0675 -15.44
174.0976 C11[13]CH13O+ 1 174.1 -13.58
175.0541 C14H7+ 3 175.0542 -0.69
175.0735 C11H11O2+ 3 175.0754 -10.35
175.0888 C12H12F+ 2 175.0918 -16.66
175.1081 C12H15O+ 1 175.1117 -20.68
176.0789 C10[13]CH11O2+ 1 176.0793 -2.03
177.0533 C10H9O3+ 4 177.0546 -7.47
177.0699 C14H9+ 3 177.0699 0.22
177.0892 C11H13O2+ 3 177.091 -10.24
178.0761 C13[13]CH9+ 1 178.0738 12.78
179.0499 C10H8FO2+ 3 179.0503 -2.02
179.0692 C10H11O3+ 4 179.0703 -6.24
179.0849 C14H11+ 3 179.0855 -3.45
180.0916 C14H12+ 3 180.0934 -9.46
181.0643 C13H9O+ 3 181.0648 -2.98
181.1005 C14H13+ 3 181.1012 -3.92
182.0696 C13H10O+ 2 182.0726 -16.55
183.0601 C13H8F+ 2 183.0605 -1.91
183.0791 C13H11O+ 3 183.0804 -7.32
183.116 C14H15+ 3 183.1168 -4.79
184.0863 C13H12O+ 3 184.0883 -10.61
185.0583 C12H9O2+ 3 185.0597 -7.66
185.0748 C13H10F+ 2 185.0761 -7.26
185.0946 C13H13O+ 3 185.0961 -8.23
186.0636 C11[13]CH9O2+ 1 186.0636 -0.16
186.1016 C12[13]CH13O+ 1 186.1 8.52
187.0557 C12H8FO+ 4 187.0554 1.91
187.0741 C12H11O2+ 3 187.0754 -6.8
187.1108 C13H15O+ 3 187.1117 -4.77
188.0796 C11[13]CH11O2+ 1 188.0793 1.97
189.0698 C15H9+ 3 189.0699 -0.53
189.0868 C12H13O2+ 1 189.091 -22.15
190.0784 C12H11FO+ 3 190.0788 -2.39
191.0686 C11H11O3+ 4 191.0703 -8.82
191.085 C15H11+ 3 191.0855 -2.5
192.0897 C15H12+ 1 192.0934 -19.24
193.0642 C14H9O+ 3 193.0648 -2.95
193.0831 C12H11F2+ 3 193.0823 3.79
193.0994 C15H13+ 3 193.1012 -9.05
194.0717 C14H10O+ 3 194.0726 -4.63
194.1065 C14[13]CH13+ 1 194.1051 7.23
195.0793 C14H11O+ 3 195.0804 -5.74
195.1156 C15H15+ 3 195.1168 -6.11
196.087 C14H12O+ 3 196.0883 -6.7
197.0585 C13H9O2+ 3 197.0597 -6.12
197.0761 C14H10F+ 3 197.0761 0.17
197.095 C11H14FO2+ 3 197.0972 -11.57
198.101 C10[13]CH14FO2+ 1 198.1011 -0.85
199.0742 C13H11O2+ 3 199.0754 -5.93
199.1108 C14H15O+ 3 199.1117 -4.68
200.079 C12[13]CH11O2+ 1 200.0793 -1.28
200.1137 C13[13]CH15O+ 1 200.1156 -9.85
201.0695 C16H9+ 3 201.0699 -1.78
201.091 C13H13O2+ 3 201.091 -0.03
201.1249 C14H17O+ 3 201.1274 -12.3
202.0761 C16H10+ 3 202.0777 -7.94
203.0716 C9H12FO4+ 4 203.0714 0.93
203.0836 C16H11+ 3 203.0855 -9.66
204.0917 C15[13]CH11+ 1 204.0894 11.06
205.0654 C15H9O+ 3 205.0648 3.07
205.1003 C16H13+ 3 205.1012 -4.42
206.0687 C14[13]CH9O+ 1 206.0687 -0.01
206.1054 C15[13]CH13+ 1 206.1051 1.52
207.0801 C15H11O+ 3 207.0804 -1.83
207.1159 C16H15+ 3 207.1168 -4.46
208.0873 C15H12O+ 3 208.0883 -4.72
208.1199 C15[13]CH15+ 1 208.1207 -3.99
209.0947 C15H13O+ 3 209.0961 -6.74
209.1327 C16H17+ 3 209.1325 1.07
210.1005 C15H14O+ 2 210.1039 -16.28
211.0732 C14H11O2+ 3 211.0754 -10.09
211.1107 C15H15O+ 3 211.1117 -4.96
212.0807 C14H12O2+ 3 212.0832 -11.52
212.1175 C15H16O+ 3 212.1196 -9.84
213.0708 C14H10FO+ 4 213.071 -0.99
213.0912 C14H13O2+ 3 213.091 1.01
213.1258 C15H17O+ 3 213.1274 -7.56
214.0936 C14H14O2+ 1 214.0988 -24.41
214.1289 C14[13]CH17O+ 1 214.1313 -11.11
215.0855 C17H11+ 3 215.0855 0.01
215.1042 C14H15O2+ 3 215.1067 -11.49
215.124 C12H17F2O+ 4 215.1242 -1
216.0922 C17H12+ 3 216.0934 -5.22
217.0992 C17H13+ 3 217.1012 -8.89
218.0711 C16H10O+ 3 218.0726 -7.06
218.1074 C17H14+ 3 218.109 -7.46
219.0803 C16H11O+ 3 219.0804 -0.75
219.1153 C17H15+ 3 219.1168 -6.78
220.0878 C16H12O+ 3 220.0883 -2.26
220.1224 C17H16+ 3 220.1247 -10.06
221.0958 C16H13O+ 3 221.0961 -1.14
221.1311 C17H17+ 3 221.1325 -6.12
222.1027 C16H14O+ 3 222.1039 -5.63
223.0752 C15H11O2+ 3 223.0754 -0.66
223.1105 C16H15O+ 3 223.1117 -5.48
224.0815 C15H12O2+ 3 224.0832 -7.62
224.1143 C15[13]CH15O+ 1 224.1156 -5.88
225.0894 C15H13O2+ 3 225.091 -7.24
225.1266 C16H17O+ 3 225.1274 -3.42
226.0797 C12H12F2O2+ 5 226.08 -1.2
226.0964 C15H14O2+ 3 226.0988 -10.69
226.1303 C15[13]CH17O+ 1 226.1313 -4.23
227.0863 C15H12FO+ 4 227.0867 -1.6
227.1038 C15H15O2+ 3 227.1067 -12.74
227.1429 C16H19O+ 3 227.143 -0.47
228.0937 C18H12+ 4 228.0934 1.6
229.101 C18H13+ 3 229.1012 -0.69
230.1087 C18H14+ 3 230.109 -1.31
231.0789 C17H11O+ 3 231.0804 -6.86
231.1162 C15H16FO+ 3 231.118 -7.48
232.0879 C17H12O+ 3 232.0883 -1.48
232.1224 C14[13]CH16FO+ 1 232.1219 2.41
233.0951 C17H13O+ 3 233.0961 -4.33
233.1309 C18H17+ 3 233.1325 -6.77
234.1022 C17H14O+ 3 234.1039 -7.25
234.1359 C17[13]CH17+ 1 234.1364 -2.24
235.111 C17H15O+ 3 235.1117 -3.02
235.1474 C18H19+ 3 235.1481 -2.94
236.081 C16H12O2+ 3 236.0832 -9.4
236.0943 C17H13F+ 1 236.0996 -22.52
236.1158 C17H16O+ 2 236.1196 -15.89
237.0906 C16H13O2+ 3 237.091 -1.71
237.1259 C17H17O+ 3 237.1274 -6.41
238.0987 C16H14O2+ 3 238.0988 -0.73
238.1306 C16[13]CH17O+ 1 238.1313 -2.94
239.0872 C16H12FO+ 5 239.0867 2.33
239.1058 C16H15O2+ 3 239.1067 -3.46
239.142 C17H19O+ 3 239.143 -4.48
240.0945 C16H13FO+ 5 240.0945 0.12
240.112 C16H16O2+ 3 240.1145 -10.47
240.1455 C16[13]CH19O+ 1 240.1469 -5.94
241.1001 C19H13+ 3 241.1012 -4.49
241.1211 C16H17O2+ 3 241.1223 -4.83
242.1056 C19H14+ 3 242.109 -14.2
242.1244 C15[13]CH17O2+ 1 242.1262 -7.39
243.0823 C12H13F2O3+ 4 243.0827 -1.67
243.1171 C16H16FO+ 4 243.118 -3.76
244.0876 C18H12O+ 3 244.0883 -2.59
244.1231 C15[13]CH16FO+ 1 244.1219 4.85
245.0958 C18H13O+ 4 245.0961 -1.02
245.1323 C19H17+ 4 245.1325 -0.73
246.1027 C18H14O+ 3 246.1039 -5.08
246.1354 C19H18+ 2 246.1403 -19.97
247.0767 C14H12FO3+ 3 247.0765 0.75
247.1102 C18H15O+ 3 247.1117 -6.39
248.0803 C17H12O2+ 3 248.0832 -11.7
248.1187 C18H16O+ 3 248.1196 -3.59
249.0909 C17H13O2+ 3 249.091 -0.38
249.1261 C18H17O+ 3 249.1274 -5.19
250.0992 C17H14O2+ 3 250.0988 1.63
250.1319 C18H18O+ 3 250.1352 -13.09
251.1054 C17H15O2+ 3 251.1067 -4.99
251.1425 C18H19O+ 3 251.143 -2.18
252.1098 C16[13]CH15O2+ 1 252.1106 -3
252.1449 C17[13]CH19O+ 1 252.1469 -8.01
253.1034 C14H15F2O2+ 5 253.1035 -0.15
253.1216 C17H17O2+ 3 253.1223 -2.84
253.153 C18H21O+ 1 253.1587 -22.35
254.1249 C16[13]CH17O2+ 1 254.1262 -5.1
255.0818 C16H12FO2+ 4 255.0816 0.66
255.1165 C17H16FO+ 4 255.118 -5.93
255.1347 C17H19O2+ 3 255.138 -12.85
256.088 C19H12O+ 4 256.0883 -1.18
256.1222 C16[13]CH16FO+ 1 256.1219 1.28
257.0961 C19H13O+ 4 257.0961 -0.1
257.132 C14H19F2O2+ 4 257.1348 -10.56
258.1034 C19H14O+ 4 258.1039 -2.17
258.1383 C13[13]CH19F2O2+ 1 258.1387 -1.45
259.1103 C19H15O+ 3 259.1117 -5.55
260.083 C18H12O2+ 3 260.0832 -0.56
260.1178 C19H16O+ 3 260.1196 -6.91
261.0913 C18H13O2+ 3 261.091 1.28
261.1266 C19H17O+ 3 261.1274 -2.98
262.0976 C18H14O2+ 3 262.0988 -4.72
262.1306 C18[13]CH17O+ 1 262.1313 -2.61
263.1046 C18H15O2+ 3 263.1067 -7.66
263.1419 C19H19O+ 3 263.143 -4.42
264.1116 C18H16O2+ 3 264.1145 -10.76
264.1458 C18[13]CH19O+ 1 264.1469 -4.21
265.0872 C14H14FO4+ 4 265.0871 0.42
265.1212 C18H17O2+ 3 265.1223 -4.18
265.1486 C9H23F2O6+ 3 265.1457 10.81
266.113 C15H16F2O2+ 5 266.1113 6.26
266.1247 C17[13]CH17O2+ 1 266.1262 -5.59
267.1174 C18H16FO+ 5 267.118 -2.02
267.1358 C18H19O2+ 3 267.138 -8.23
268.1135 C11H18F2O5+ 3 268.1117 6.88
268.1415 C17[13]CH19O2+ 1 268.1419 -1.44
269.0959 C20H13O+ 4 269.0961 -0.82
269.1335 C21H17+ 5 269.1325 3.98
269.1606 C12H23F2O4+ 2 269.1559 17.43
270.1367 C20[13]CH17+ 1 270.1364 1.23
271.1123 C20H15O+ 4 271.1117 1.94
271.1481 C21H19+ 4 271.1481 -0.16
272.1164 C20H16O+ 3 272.1196 -11.78
273.1262 C20H17O+ 3 273.1274 -4.33
274.0975 C19H14O2+ 3 274.0988 -4.79
274.1307 C19[13]CH17O+ 1 274.1313 -2.3
275.1054 C19H15O2+ 3 275.1067 -4.43
275.1257 C17H17F2O+ 5 275.1242 5.51
275.1435 C20H19O+ 4 275.143 1.54
276.1138 C19H16O2+ 3 276.1145 -2.34
276.148 C20H20O+ 3 276.1509 -10.54
277.1216 C19H17O2+ 3 277.1223 -2.47
277.1572 C20H21O+ 3 277.1587 -5.39
278.0928 C18H14O3+ 4 278.0937 -3.56
278.1268 C19H18O2+ 3 278.1301 -12.11
278.1644 C20H22O+ 3 278.1665 -7.76
279.1373 C19H19O2+ 3 279.138 -2.2
279.1721 C20H23O+ 3 279.1743 -8.08
280.1114 C12H18F2O5+ 4 280.1117 -0.93
280.1406 C18[13]CH19O2+ 1 280.1419 -4.37
280.171 C10H26F2O6+ 3 280.1692 6.37
281.0976 C18H14FO2+ 4 281.0972 1.14
281.1325 C22H17+ 5 281.1325 -0.04
281.1538 C19H21O2+ 3 281.1536 0.74
282.1121 C14H18O6+ 2 282.1098 8.25
282.1355 C21[13]CH17+ 1 282.1364 -3.28
283.1137 C15H17F2O3+ 4 283.114 -1.18
283.142 C22H19+ 2 283.1481 -21.63
284.1169 C21H16O+ 3 284.1196 -9.55
285.1147 C11H19F2O6+ 4 285.1144 0.9
285.1297 C15H19F2O3+ 4 285.1297 0.23
286.0989 C20H14O2+ 3 286.0988 0.19
286.1362 C18H19FO2+ 4 286.1364 -0.68
287.1024 C19[13]CH14O2+ 1 287.1027 -1
288.112 C20H16O2+ 3 288.1145 -8.78
289.0846 C19H13O3+ 4 289.0859 -4.46
289.0969 C23H13+ 3 289.1012 -14.84
289.1221 C20H17O2+ 3 289.1223 -0.73
289.1529 C21H21O+ 3 289.1587 -19.88
290.092 C19H14O3+ 4 290.0937 -5.97
290.1257 C19[13]CH17O2+ 1 290.1262 -1.85
291.1057 C13H17F2O5+ 3 291.1039 6.38
291.1375 C20H19O2+ 3 291.138 -1.48
291.1735 C21H23O+ 4 291.1743 -3.05
292.1085 C19H16O3+ 4 292.1094 -3.07
292.1394 C19[13]CH19O2+ 1 292.1419 -8.55
293.1196 C13H19F2O5+ 4 293.1195 0.36
294.1266 C16H19FO4+ 4 294.1262 1.34
295.1296 C20H17F2+ 4 295.1293 0.92
296.1377 C20H18F2+ 4 296.1371 2.05
297.1265 C22H17O+ 4 297.1274 -2.85
297.1448 C20H19F2+ 4 297.1449 -0.29
298.1393 C16H20F2O3+ 4 298.1375 5.99
299.1425 C22H19O+ 4 299.143 -1.71
300.1468 C21[13]CH19O+ 1 300.1469 -0.52
301.1218 C21H17O2+ 3 301.1223 -1.7
302.1263 C20[13]CH17O2+ 1 302.1262 0.35
303.1255 C14H20FO6+ 4 303.1238 5.49
304.1117 C20H16O3+ 4 304.1094 7.49
305.1123 C19[13]CH16O3+ 1 305.1133 -3.11
306.1201 C21H16F2+ 4 306.1215 -4.54
307.1329 C20H19O3+ 4 307.1329 -0.01
307.1756 C15H25F2O4+ 3 307.1715 13.26
308.1365 C19[13]CH19O3+ 1 308.1368 -0.75
309.147 C20H21O3+ 4 309.1485 -4.83
310.1526 C19[13]CH21O3+ 1 310.1524 0.65
311.1435 C16H23O6+ 4 311.1489 -17.31
312.1556 C15[13]CH23O6+ 1 312.1528 9
313.1322 C23H18F+ 3 313.1387 -20.85
313.1427 C20H19F2O+ 5 313.1398 8.99
317.1363 C19H19F2O2+ 4 317.1348 5
319.1328 C22H17F2+ 4 319.1293 10.87
320.1346 C21[13]CH17F2+ 1 320.1332 4.56
321.1308 C18H19F2O3+ 4 321.1297 3.57
327.1601 C17H24FO5+ 5 327.1602 -0.46
329.1543 C20H22FO3+ 3 329.1547 -1.38
331.1502 C20H21F2O2+ 4 331.1504 -0.73
332.1528 C23H21FO+ 2 332.1571 -13.05
337.1443 C21H21O4+ 4 337.1434 2.47
338.1468 C20[13]CH21O4+ 1 338.1473 -1.73
339.1374 C24H19O2+ 3 339.138 -1.67
340.1416 C24H20O2+ 3 340.1458 -12.25
347.1625 C24H21F2+ 4 347.1606 5.52
348.1592 C23[13]CH21F2+ 1 348.1645 -15.3
355.1534 C21H23O5+ 3 355.154 -1.79
357.1494 C21H22FO4+ 3 357.1497 -0.76
358.1509 C24H22O3+ 3 358.1563 -15.12
359.144 C24H20FO2+ 3 359.1442 -0.52
415.1911 C24H28FO5+ 2 415.1915 -1.02
PK$NUM_PEAK: 372
PK$PEAK: m/z int. rel.int.
115.0538 1664 31
117.0701 1732 32
119.0488 440 8
119.0852 1256 23
121.064 52620 999
122.0667 4732 89
123.0436 876 16
123.0608 1320 25
123.0796 712 13
125.0596 940 17
125.0744 372 7
127.0551 920 17
128.0607 1424 27
129.0683 2672 50
131.0477 1120 21
131.0846 2424 46
132.0558 524 9
132.0883 388 7
133.0639 6228 118
133.0996 620 11
134.0673 788 14
135.0423 1600 30
135.0596 812 15
135.0794 11476 217
136.0828 1484 28
137.0587 2688 51
137.0753 5300 100
138.0781 612 11
139.0543 5792 109
139.0749 2192 41
140.0591 520 9
141.0529 796 15
141.0696 2152 40
142.0757 824 15
143.0495 328 6
143.0843 3564 67
144.0561 984 18
144.0866 428 8
145.0639 12008 227
145.0995 984 18
146.0527 580 11
146.0675 2148 40
147.0793 13336 253
148.0827 1808 34
149.0587 1944 36
149.0745 2268 43
149.0941 448 8
150.0816 300 5
151.0377 820 15
151.0554 468 8
151.0746 2572 48
151.0904 352 6
152.0607 356 6
153.0539 1024 19
153.0695 3008 57
153.0882 508 9
155.0554 592 11
155.0688 1716 32
155.0839 1356 25
156.0899 380 7
157.0632 3084 58
157.1008 740 14
158.0706 3192 60
159.079 17484 331
160.0645 460 8
160.0833 2288 43
161.0586 3444 65
161.074 1072 20
161.095 3064 58
162.0496 304 5
162.0638 904 17
163.0534 2140 40
163.0737 2608 49
163.0893 1136 21
163.1094 680 12
164.0584 372 7
165.0698 6184 117
165.0903 496 9
166.0741 932 17
167.0682 768 14
167.0849 1596 30
168.0561 612 11
169.0637 4492 85
169.1008 904 17
170.0701 784 14
171.0792 21420 406
172.0835 2868 54
173.0589 1332 25
173.0744 700 13
173.0951 4176 79
174.0648 532 10
174.0976 620 11
175.0541 552 10
175.0735 3016 57
175.0888 544 10
175.1081 376 7
176.0789 520 9
177.0533 676 12
177.0699 5016 95
177.0892 668 12
178.0761 1168 22
179.0499 720 13
179.0692 1556 29
179.0849 3564 67
180.0916 1884 35
181.0643 5588 106
181.1005 1572 29
182.0696 2128 40
183.0601 496 9
183.0791 5208 98
183.116 1372 26
184.0863 1620 30
185.0583 7060 134
185.0748 1320 25
185.0946 6808 129
186.0636 1256 23
186.1016 1536 29
187.0557 608 11
187.0741 6208 117
187.1108 1236 23
188.0796 976 18
189.0698 3876 73
189.0868 1340 25
190.0784 1108 21
191.0686 496 9
191.085 4164 79
192.0897 1256 23
193.0642 660 12
193.0831 592 11
193.0994 4080 77
194.0717 1096 20
194.1065 1188 22
195.0793 6528 123
195.1156 4372 83
196.087 3900 74
197.0585 740 14
197.0761 708 13
197.095 10684 202
198.101 2072 39
199.0742 2564 48
199.1108 3236 61
200.079 372 7
200.1137 760 14
201.0695 580 11
201.091 1300 24
201.1249 412 7
202.0761 660 12
203.0716 1192 22
203.0836 2680 50
204.0917 824 15
205.0654 10200 193
205.1003 4300 81
206.0687 1568 29
206.1054 1120 21
207.0801 1484 28
207.1159 2208 41
208.0873 5928 112
208.1199 436 8
209.0947 12700 241
209.1327 1196 22
210.1005 3744 71
211.0732 1988 37
211.1107 15900 301
212.0807 892 16
212.1175 10412 197
213.0708 820 15
213.0912 2084 39
213.1258 6444 122
214.0936 608 11
214.1289 1380 26
215.0855 2156 40
215.1042 820 15
215.124 404 7
216.0922 1604 30
217.0992 1708 32
218.0711 472 8
218.1074 1664 31
219.0803 1560 29
219.1153 2748 52
220.0878 1604 30
220.1224 1048 19
221.0958 8260 156
221.1311 1968 37
222.1027 9200 174
223.0752 1920 36
223.1105 26428 501
224.0815 1408 26
224.1143 6228 118
225.0894 3172 60
225.1266 7084 134
226.0797 452 8
226.0964 1532 29
226.1303 1176 22
227.0863 960 18
227.1038 2312 43
227.1429 1392 26
228.0937 1176 22
229.101 2508 47
230.1087 2344 44
231.0789 2260 42
231.1162 4692 89
232.0879 2524 47
232.1224 1312 24
233.0951 4568 86
233.1309 4892 92
234.1022 4368 82
234.1359 1016 19
235.111 17700 336
235.1474 900 17
236.081 768 14
236.0943 492 9
236.1158 5744 109
237.0906 2572 48
237.1259 15524 294
238.0987 2612 49
238.1306 3780 71
239.0872 984 18
239.1058 6412 121
239.142 3376 64
240.0945 1040 19
240.112 2736 51
240.1455 364 6
241.1001 2172 41
241.1211 7900 149
242.1056 1108 21
242.1244 1732 32
243.0823 792 15
243.1171 5124 97
244.0876 928 17
244.1231 1348 25
245.0958 2072 39
245.1323 3180 60
246.1027 7320 138
246.1354 1200 22
247.0767 536 10
247.1102 6836 129
248.0803 856 16
248.1187 7120 135
249.0909 2028 38
249.1261 13404 254
250.0992 1664 31
250.1319 4488 85
251.1054 7844 148
251.1425 10516 199
252.1098 1708 32
252.1449 2380 45
253.1034 2488 47
253.1216 10660 202
253.153 664 12
254.1249 2172 41
255.0818 464 8
255.1165 3484 66
255.1347 1428 27
256.088 424 8
256.1222 984 18
257.0961 1504 28
257.132 1728 32
258.1034 4852 92
258.1383 304 5
259.1103 7720 146
260.083 480 9
260.1178 4700 89
261.0913 1724 32
261.1266 21400 406
262.0976 3848 73
262.1306 5088 96
263.1046 4300 81
263.1419 8988 170
264.1116 2876 54
264.1458 2864 54
265.0872 512 9
265.1212 4192 79
265.1486 512 9
266.113 776 14
266.1247 816 15
267.1174 1336 25
267.1358 3768 71
268.1135 476 9
268.1415 924 17
269.0959 552 10
269.1335 1500 28
269.1606 388 7
270.1367 364 6
271.1123 1588 30
271.1481 1196 22
272.1164 876 16
273.1262 11356 215
274.0975 2104 39
274.1307 2912 55
275.1054 2984 56
275.1257 712 13
275.1435 1044 19
276.1138 4592 87
276.148 512 9
277.1216 9896 187
277.1572 1236 23
278.0928 456 8
278.1268 5784 109
278.1644 616 11
279.1373 14180 269
279.1721 1500 28
280.1114 1012 19
280.1406 2460 46
280.171 352 6
281.0976 308 5
281.1325 4636 88
281.1538 1464 27
282.1121 372 7
282.1355 936 17
283.1137 1288 24
283.142 492 9
284.1169 660 12
285.1147 308 5
285.1297 568 10
286.0989 1820 34
286.1362 428 8
287.1024 600 11
288.112 344 6
289.0846 444 8
289.0969 556 10
289.1221 3376 64
289.1529 356 6
290.092 316 5
290.1257 1184 22
291.1057 688 13
291.1375 8932 169
291.1735 1012 19
292.1085 828 15
292.1394 1776 33
293.1196 2000 37
294.1266 956 18
295.1296 2720 51
296.1377 1052 19
297.1265 1048 19
297.1448 1108 21
298.1393 680 12
299.1425 2032 38
300.1468 404 7
301.1218 3592 68
302.1263 844 16
303.1255 356 6
304.1117 1624 30
305.1123 356 6
306.1201 316 5
307.1329 2404 45
307.1756 428 8
308.1365 584 11
309.147 2584 49
310.1526 744 14
311.1435 1144 21
312.1556 304 5
313.1322 324 6
313.1427 544 10
317.1363 504 9
319.1328 3348 63
320.1346 984 18
321.1308 576 10
327.1601 424 8
329.1543 1816 34
331.1502 416 7
332.1528 456 8
337.1443 2308 43
338.1468 780 14
339.1374 1096 20
340.1416 520 9
347.1625 1048 19
348.1592 300 5
355.1534 904 17
357.1494 728 13
358.1509 348 6
359.144 528 10
415.1911 408 7
//
