ACCESSION: MSBNK-Athens_Univ-AU281206
RECORD_TITLE: Flunisolide; LC-ESI-QTOF; MS2; CE: Ramp 24.3-36.5 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 2812
CH$NAME: Flunisolide
CH$NAME: (1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-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: C24H31FO6
CH$EXACT_MASS: 434.2104669
CH$SMILES: [H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
CH$IUPAC: InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1
CH$LINK: CAS
3385-03-3
CH$LINK: CHEBI
5106
CH$LINK: KEGG
C07005
CH$LINK: PUBCHEM
CID:82153
CH$LINK: INCHIKEY
XSFJVAJPIHIPKU-XWCQMRHXSA-N
CH$LINK: CHEMSPIDER
74144
CH$LINK: COMPTOX
DTXSID1045534
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$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 24.3-36.5 eV
AC$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 8.996 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$FOCUSED_ION: BASE_PEAK 435.2175
MS$FOCUSED_ION: PRECURSOR_M/Z 435.2177
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-0391000000-33deec6d6e99e2e36200
PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
45.0331 C2H5O+ 1 45.0335 -8.37
55.0174 C3H3O+ 1 55.0178 -7.99
55.0538 C4H7+ 1 55.0542 -8.31
57.0331 C3H5O+ 1 57.0335 -7.6
59.0484 C3H7O+ 1 59.0491 -11.88
60.0531 C2[13]CH7O+ 1 60.053 0.33
67.0537 C5H7+ 1 67.0542 -8.53
69.0327 C4H5O+ 1 69.0335 -10.92
69.0687 C5H9+ 1 69.0699 -17.47
71.0117 C3H3O2+ 1 71.0128 -14.41
71.0486 C4H7O+ 2 71.0491 -7.81
73.0281 C3H5O2+ 2 73.0284 -3.55
79.0538 C6H7+ 2 79.0542 -5.77
81.0328 C5H5O+ 2 81.0335 -8.16
81.0693 C6H9+ 2 81.0699 -7.7
83.0491 C5H7O+ 2 83.0491 -0.13
85.0278 C4H5O2+ 2 85.0284 -7.43
85.065 C5H9O+ 2 85.0648 2.32
87.0443 C4H7O2+ 2 87.0441 3.13
91.0542 C7H7+ 2 91.0542 -0.23
93.0701 C7H9+ 2 93.0699 2.26
95.0498 C3H8FO2+ 2 95.0503 -5.36
95.0854 C7H11+ 2 95.0855 -1.21
97.0287 C5H5O2+ 2 97.0284 3.49
97.0656 C3H10FO2+ 2 97.0659 -3.51
99.044 C5H7O2+ 2 99.0441 -1
101.0238 C4H5O3+ 2 101.0233 4.7
105.0707 C5H10FO+ 2 105.071 -2.79
107.0495 C7H7O+ 2 107.0491 3.12
107.0867 C5H12FO+ 2 107.0867 0.66
109.0663 C4H10FO2+ 2 109.0659 3.72
111.0446 C3H8FO3+ 2 111.0452 -5.09
113.0597 C6H9O2+ 2 113.0597 -0.1
115.0394 C5H7O3+ 2 115.039 3.39
116.0463 C5H8O3+ 2 116.0468 -4.37
117.069 C9H9+ 2 117.0699 -7.09
119.0843 C9H11+ 2 119.0855 -9.93
121.0643 C8H9O+ 2 121.0648 -3.9
122.0673 C7[13]CH9O+ 1 122.0687 -11.63
123.0441 C7H7O2+ 2 123.0441 0.23
123.0805 C8H11O+ 2 123.0804 0.54
125.0591 C7H9O2+ 2 125.0597 -4.62
127.038 C6H7O3+ 2 127.039 -7.84
127.0745 C7H11O2+ 2 127.0754 -6.42
128.0623 C10H8+ 2 128.0621 2.19
129.0692 C10H9+ 2 129.0699 -5.11
131.0491 C9H7O+ 2 131.0491 -0.32
131.0845 C10H11+ 2 131.0855 -7.46
132.0564 C9H8O+ 2 132.057 -4.34
133.0643 C9H9O+ 2 133.0648 -3.74
133.0996 C10H13+ 2 133.1012 -11.92
134.0675 C8[13]CH9O+ 1 134.0687 -9.28
135.043 C8H7O2+ 2 135.0441 -7.84
135.0794 C9H11O+ 2 135.0804 -7.75
136.0826 C8[13]CH11O+ 1 136.0843 -13.12
137.0588 C8H9O2+ 2 137.0597 -6.68
137.094 C9H13O+ 2 137.0961 -15.29
139.0544 C11H7+ 2 139.0542 0.99
139.0746 C8H11O2+ 2 139.0754 -5.6
141.0534 C7H9O3+ 2 141.0546 -8.84
141.0676 C11H9+ 2 141.0699 -16.01
143.0839 C11H11+ 2 143.0855 -11.55
144.0554 C10H8O+ 2 144.057 -11.18
145.0638 C10H9O+ 2 145.0648 -6.94
145.0993 C11H13+ 2 145.1012 -13.06
146.0676 C9[13]CH9O+ 1 146.0687 -7.37
147.0793 C10H11O+ 2 147.0804 -7.73
148.0839 C9[13]CH11O+ 1 148.0843 -2.86
149.058 C9H9O2+ 2 149.0597 -11.51
149.0948 C10H13O+ 2 149.0961 -8.39
151.0741 C9H11O2+ 2 151.0754 -8.28
153.0524 C8H9O3+ 2 153.0546 -14.23
153.0691 C12H9+ 2 153.0699 -5.24
153.0879 C9H13O2+ 1 153.091 -20.18
155.0693 C8H11O3+ 2 155.0703 -6
156.0719 C7[13]CH11O3+ 1 156.0742 -14.67
157.0636 C11H9O+ 2 157.0648 -7.3
157.0999 C12H13+ 2 157.1012 -8.34
158.0722 C11H10O+ 2 158.0726 -2.68
159.0788 C11H11O+ 2 159.0804 -10.57
160.0826 C10[13]CH11O+ 1 160.0843 -11.04
161.0575 C10H9O2+ 2 161.0597 -13.46
161.0947 C11H13O+ 2 161.0961 -8.5
162.0972 C10[13]CH13O+ 1 162.1 -17.51
163.0745 C10H11O2+ 2 163.0754 -5
163.1086 C11H15O+ 1 163.1117 -19.03
164.0774 C9[13]CH11O2+ 1 164.0793 -11.58
165.0697 C13H9+ 2 165.0699 -1.16
165.0895 C10H13O2+ 2 165.091 -9.05
166.0726 C12[13]CH9+ 1 166.0738 -6.85
167.0839 C13H11+ 2 167.0855 -9.98
167.1046 C10H15O2+ 2 167.1067 -12.17
168.0898 C13H12+ 1 168.0934 -21.19
169.0632 C12H9O+ 2 169.0648 -9.4
169.0996 C13H13+ 2 169.1012 -9.54
170.0703 C12H10O+ 2 170.0726 -13.55
171.0793 C12H11O+ 2 171.0804 -6.68
172.0827 C11[13]CH11O+ 1 172.0843 -9.47
173.0578 C11H9O2+ 2 173.0597 -10.98
173.095 C12H13O+ 2 173.0961 -6.14
174.099 C11[13]CH13O+ 1 174.1 -5.79
175.0747 C11H11O2+ 2 175.0754 -3.79
175.1098 C12H15O+ 2 175.1117 -10.92
177.0682 C14H9+ 2 177.0699 -9.66
177.0904 C11H13O2+ 2 177.091 -3.7
178.076 C14H10+ 2 178.0777 -9.65
179.0683 C10H11O3+ 2 179.0703 -10.8
179.0844 C14H11+ 2 179.0855 -6.04
180.0753 C10H12O3+ 2 180.0781 -15.64
180.0925 C14H12+ 2 180.0934 -4.73
181.0633 C13H9O+ 2 181.0648 -8.36
181.0851 C10H13O3+ 2 181.0859 -4.61
181.0979 C14H13+ 2 181.1012 -17.97
182.0704 C13H10O+ 2 182.0726 -12.1
182.089 C9[13]CH13O3+ 1 182.0898 -4.5
183.0788 C13H11O+ 2 183.0804 -8.94
183.1178 C11H16FO+ 2 183.118 -1.08
184.0842 C13H12O+ 1 184.0883 -21.98
185.0577 C12H9O2+ 2 185.0597 -10.85
185.0947 C13H13O+ 2 185.0961 -7.51
186.0979 C12[13]CH13O+ 1 186.1 -11.47
187.0745 C12H11O2+ 2 187.0754 -4.8
187.1101 C13H15O+ 2 187.1117 -8.88
189.0703 C15H9+ 2 189.0699 2.19
189.0907 C12H13O2+ 2 189.091 -1.68
190.0741 C15H10+ 1 190.0777 -19.06
191.0847 C15H11+ 2 191.0855 -4.32
191.1056 C12H15O2+ 2 191.1067 -5.73
192.0908 C15H12+ 2 192.0934 -13.09
193.0849 C11H13O3+ 2 193.0859 -5.18
193.0994 C15H13+ 2 193.1012 -9.05
194.0706 C14H10O+ 2 194.0726 -10.47
194.0875 C10[13]CH13O3+ 1 194.0898 -12.09
194.1039 C14[13]CH13+ 1 194.1051 -6.03
195.0794 C14H11O+ 2 195.0804 -5.55
195.1002 C11H15O3+ 2 195.1016 -6.93
195.1156 C15H15+ 2 195.1168 -6.35
196.0875 C14H12O+ 2 196.0883 -4.14
196.1165 C14[13]CH15+ 1 196.1207 -21.58
197.0951 C14H13O+ 2 197.0961 -5.09
198.0991 C13[13]CH13O+ 1 198.1 -4.71
199.074 C13H11O2+ 2 199.0754 -6.85
199.1101 C14H15O+ 2 199.1117 -8.22
200.1133 C13[13]CH15O+ 1 200.1156 -11.61
201.0898 C13H13O2+ 2 201.091 -6.02
201.1276 C14H17O+ 2 201.1274 0.85
203.086 C16H11+ 2 203.0855 2.13
203.107 C13H15O2+ 2 203.1067 1.93
204.1095 C13H16O2+ 1 204.1145 -24.17
205.0999 C16H13+ 2 205.1012 -6.43
206.1055 C16H14+ 2 206.109 -16.84
207.0825 C12H12FO2+ 3 207.0816 4.24
207.1153 C16H15+ 2 207.1168 -7.52
208.0872 C15H12O+ 2 208.0883 -5.18
208.1201 C15[13]CH15+ 1 208.1207 -3.16
209.095 C15H13O+ 2 209.0961 -5.17
210.1011 C15H14O+ 2 210.1039 -13.38
211.0747 C14H11O2+ 2 211.0754 -2.96
211.1107 C15H15O+ 2 211.1117 -4.83
212.0782 C14H12O2+ 1 212.0832 -23.28
212.1152 C14[13]CH15O+ 1 212.1156 -2.11
213.09 C11H14FO3+ 2 213.0921 -9.99
213.1264 C15H17O+ 2 213.1274 -4.7
214.0957 C10[13]CH14FO3+ 1 214.0961 -1.59
214.1308 C14[13]CH17O+ 1 214.1313 -2.28
215.0841 C17H11+ 2 215.0855 -6.5
215.1044 C14H15O2+ 2 215.1067 -10.67
215.1415 C15H19O+ 2 215.143 -7.18
216.0914 C17H12+ 2 216.0934 -9.26
217.0838 C13H13O3+ 2 217.0859 -9.85
217.1001 C17H13+ 2 217.1012 -4.95
218.0718 C16H10O+ 2 218.0726 -3.91
218.1084 C17H14+ 2 218.109 -2.57
219.0804 C16H11O+ 2 219.0804 -0.02
219.115 C17H15+ 2 219.1168 -8.21
220.0871 C16H12O+ 2 220.0883 -5.29
220.1225 C16[13]CH15+ 1 220.1207 8.18
221.095 C16H13O+ 2 221.0961 -5.12
221.1311 C17H17+ 2 221.1325 -6.07
222.102 C16H14O+ 2 222.1039 -8.42
223.1108 C16H15O+ 2 223.1117 -4.02
224.1173 C16H16O+ 2 224.1196 -10.21
225.1266 C16H17O+ 2 225.1274 -3.67
226.0954 C15H14O2+ 2 226.0988 -15.1
226.1297 C15[13]CH17O+ 1 226.1313 -7.07
227.0709 C11H12FO4+ 2 227.0714 -2.39
227.1064 C15H15O2+ 2 227.1067 -1.19
227.1403 C16H19O+ 2 227.143 -11.97
228.0907 C18H12+ 2 228.0934 -11.84
228.1056 C14[13]CH15O2+ 1 228.1106 -21.92
228.1476 C16H20O+ 2 228.1509 -14.18
229.0998 C18H13+ 2 229.1012 -5.98
229.1544 C16H21O+ 2 229.1587 -18.92
230.1106 C15H15FO+ 4 230.1101 2.18
231.0794 C17H11O+ 2 231.0804 -4.72
231.1154 C18H15+ 2 231.1168 -6.18
232.0881 C17H12O+ 2 232.0883 -0.55
232.1224 C18H16+ 2 232.1247 -9.72
233.0945 C17H13O+ 2 233.0961 -6.99
233.1324 C18H17+ 2 233.1325 -0.21
234.1023 C17H14O+ 2 234.1039 -7.03
234.134 C17[13]CH17+ 1 234.1364 -10.01
235.1108 C17H15O+ 2 235.1117 -3.97
235.1472 C18H19+ 2 235.1481 -4.04
236.0812 C16H12O2+ 2 236.0832 -8.59
236.1152 C16[13]CH15O+ 1 236.1156 -1.85
236.1526 C17[13]CH19+ 1 236.152 2.5
237.0893 C16H13O2+ 2 237.091 -7.4
237.1271 C17H17O+ 2 237.1274 -1.26
238.0959 C16H14O2+ 2 238.0988 -12.46
238.1298 C16[13]CH17O+ 1 238.1313 -6.49
239.1061 C16H15O2+ 2 239.1067 -2.33
239.1427 C17H19O+ 2 239.143 -1.49
240.1103 C15[13]CH15O2+ 1 240.1106 -1
240.1453 C16[13]CH19O+ 1 240.1469 -6.89
241.0853 C15H13O3+ 2 241.0859 -2.48
241.1021 C16H14FO+ 3 241.1023 -0.95
241.1205 C16H17O2+ 2 241.1223 -7.54
241.157 C17H21O+ 2 241.1587 -7.11
242.1097 C16H15FO+ 3 242.1101 -1.75
243.1164 C19H15+ 2 243.1168 -1.76
244.0858 C18H12O+ 2 244.0883 -10.22
244.1239 C19H16+ 2 244.1247 -3.19
245.0958 C18H13O+ 2 245.0961 -1.1
245.1318 C19H17+ 2 245.1325 -2.91
246.1035 C18H14O+ 2 246.1039 -1.79
246.136 C18[13]CH17+ 1 246.1364 -1.66
247.1112 C18H15O+ 2 247.1117 -2.15
247.1472 C19H19+ 2 247.1481 -3.91
248.1185 C18H16O+ 2 248.1196 -4.38
249.0899 C17H13O2+ 2 249.091 -4.24
249.1262 C18H17O+ 2 249.1274 -4.93
250.0979 C17H14O2+ 2 250.0988 -3.9
250.1321 C17[13]CH17O+ 1 250.1313 3.17
251.1059 C17H15O2+ 2 251.1067 -3.21
251.1426 C18H19O+ 2 251.143 -1.79
252.1092 C17H16O2+ 1 252.1145 -21.14
252.147 C17[13]CH19O+ 1 252.1469 0.27
253.1209 C17H17O2+ 2 253.1223 -5.65
253.1565 C18H21O+ 2 253.1587 -8.7
254.127 C17H18O2+ 2 254.1301 -12.23
254.1629 C17[13]CH21O+ 1 254.1626 1.04
255.1158 C20H15+ 2 255.1168 -4.14
255.1348 C17H19O2+ 2 255.138 -12.52
255.1703 C18H23O+ 2 255.1743 -16.01
256.1237 C20H16+ 2 256.1247 -3.6
256.1352 C10H21FO6+ 2 256.1317 13.94
257.1319 C20H17+ 2 257.1325 -2.43
258.1053 C16H15FO2+ 3 258.1051 1.11
258.1375 C19[13]CH17+ 1 258.1364 4.44
259.1112 C19H15O+ 3 259.1117 -1.91
259.1492 C17H20FO+ 4 259.1493 -0.21
260.1187 C19H16O+ 2 260.1196 -3.17
261.0902 C18H13O2+ 2 261.091 -3.04
261.1266 C19H17O+ 2 261.1274 -2.85
262.0951 C18H14O2+ 2 262.0988 -14.17
262.1328 C19H18O+ 2 262.1352 -9.24
263.1425 C19H19O+ 3 263.143 -1.9
264.1124 C18H16O2+ 2 264.1145 -7.85
264.1463 C18[13]CH19O+ 1 264.1469 -2.47
265.1214 C18H17O2+ 2 265.1223 -3.54
265.1586 C19H21O+ 3 265.1587 -0.53
266.088 C17H14O3+ 1 266.0937 -21.47
266.1244 C17[13]CH17O2+ 1 266.1262 -6.86
266.1621 C18[13]CH21O+ 1 266.1626 -1.85
267.1153 C21H15+ 2 267.1168 -5.86
267.1368 C15H20FO3+ 2 267.1391 -8.46
268.1438 C14[13]CH20FO3+ 1 268.143 2.87
269.1163 C17H17O3+ 2 269.1172 -3.39
269.1366 C14H21O5+ 4 269.1384 -6.41
269.1536 C18H21O2+ 2 269.1536 -0.15
270.1042 C20H14O+ 3 270.1039 1.09
271.1081 C19[13]CH14O+ 1 271.1078 0.96
271.1371 C14H20FO4+ 2 271.134 11.23
271.149 C18H20FO+ 4 271.1493 -1.04
272.1191 C20H16O+ 3 272.1196 -1.89
273.1262 C17H18FO2+ 2 273.1285 -8.52
274.1011 C16H15FO3+ 2 274.1 4.08
274.1333 C16[13]CH18FO2+ 1 274.1324 3.13
275.1427 C20H19O+ 3 275.143 -1.33
276.1127 C19H16O2+ 2 276.1145 -6.5
276.1466 C19[13]CH19O+ 1 276.1469 -1.2
277.1223 C19H17O2+ 2 277.1223 -0.04
277.1556 C20H21O+ 2 277.1587 -11.21
278.1283 C19H18O2+ 2 278.1301 -6.67
278.164 C20H22O+ 2 278.1665 -8.98
279.1015 C18H15O3+ 2 279.1016 -0.23
279.1371 C19H19O2+ 2 279.138 -3.05
279.1742 C20H23O+ 3 279.1743 -0.56
280.105 C18H16O3+ 2 280.1094 -15.78
280.1433 C18[13]CH19O2+ 1 280.1419 5.21
281.1528 C19H21O2+ 2 281.1536 -2.94
282.1551 C18[13]CH21O2+ 1 282.1575 -8.46
283.1484 C22H19+ 4 283.1481 0.92
284.151 C21[13]CH19+ 1 284.152 -3.62
284.1724 C19H24O2+ 2 284.1771 -16.46
285.1272 C21H17O+ 3 285.1274 -0.68
286.1316 C20[13]CH17O+ 1 286.1313 1.09
288.1132 C20H16O2+ 2 288.1145 -4.54
289.1173 C19[13]CH16O2+ 1 289.1184 -3.88
290.128 C20H18O2+ 2 290.1301 -7.22
291.1378 C17H20FO3+ 2 291.1391 -4.45
292.1442 C16[13]CH20FO3+ 1 292.143 4.08
293.118 C16H18FO4+ 2 293.1184 -1.27
293.1531 C20H21O2+ 2 293.1536 -1.76
294.1236 C15[13]CH18FO4+ 1 294.1223 4.46
294.1568 C19[13]CH21O2+ 1 294.1575 -2.51
295.1308 C19H19O3+ 2 295.1329 -7.06
295.1499 C20H20FO+ 4 295.1493 2.01
296.1359 C19H20O3+ 2 296.1407 -16.32
297.1109 C18H17O4+ 3 297.1121 -4.28
297.1465 C19H21O3+ 2 297.1485 -6.91
298.1493 C19H22O3+ 1 298.1563 -23.7
299.1435 C22H19O+ 3 299.143 1.68
299.1679 C16H24FO4+ 2 299.1653 8.48
300.1526 C19H21FO2+ 3 300.152 2.07
301.127 C18H18FO3+ 2 301.1234 11.85
301.1605 C19H22FO2+ 3 301.1598 2.23
302.1645 C18[13]CH22FO2+ 1 302.1637 2.46
303.1377 C21H19O2+ 2 303.138 -0.74
304.1413 C20[13]CH19O2+ 1 304.1419 -1.98
305.1458 C19[13]C2H19O2+ 1 305.1452 2.07
306.1241 C20H18O3+ 2 306.125 -3.11
307.1346 C17H20FO4+ 2 307.134 1.97
309.1474 C20H21O3+ 2 309.1485 -3.62
310.1526 C19[13]CH21O3+ 1 310.1524 0.48
311.1642 C20H23O3+ 2 311.1642 0.01
312.168 C19[13]CH23O3+ 1 312.1681 -0.36
313.1601 C20H22FO2+ 3 313.1598 0.75
314.1644 C19[13]CH22FO2+ 1 314.1637 2.12
319.1338 C18H20FO4+ 2 319.134 -0.64
319.1698 C22H23O2+ 2 319.1693 1.76
321.1487 C21H21O3+ 2 321.1485 0.46
322.152 C20[13]CH21O3+ 1 322.1524 -1.26
323.1486 C24H19O+ 3 323.143 17.3
324.1471 C23[13]CH19O+ 1 324.1469 0.42
324.1641 C17H24O6+ 2 324.1567 22.62
325.1524 C24H21O+ 3 325.1587 -19.2
327.1597 C17H24FO5+ 3 327.1602 -1.58
329.1752 C20H25O4+ 3 329.1747 1.51
331.1697 C23H23O2+ 2 331.1693 1.32
339.1593 C21H23O4+ 2 339.1591 0.74
340.1627 C20[13]CH23O4+ 1 340.163 -0.92
341.1565 C24H21O2+ 2 341.1536 8.62
342.157 C23[13]CH21O2+ 1 342.1575 -1.4
343.1649 C24H23O2+ 2 343.1693 -12.59
357.1707 C18H26FO6+ 2 357.1708 -0.4
357.2055 C22H29O4+ 2 357.206 -1.36
359.1642 C21H24FO4+ 2 359.1653 -3.09
360.1649 C24H24O3+ 3 360.172 -19.79
360.1775 C20[13]CH24FO4+ 1 360.1692 23.02
361.1759 C24H25O3+ 2 361.1798 -10.86
379.1906 C24H27O4+ 2 379.1904 0.64
397.2012 C24H29O5+ 2 397.201 0.58
398.2042 C23[13]CH29O5+ 1 398.2049 -1.65
399.1981 C24H28FO4+ 1 399.1966 3.78
415.2104 C24H31O6+ 1 415.2115 -2.61
417.2068 C24H30FO5+ 1 417.2072 -1.01
418.209 C23[13]CH30FO5+ 1 418.2111 -4.93
435.2158 C24H32FO6+ 1 435.2177 -4.55
PK$NUM_PEAK: 360
PK$PEAK: m/z int. rel.int.
45.0331 316 5
55.0174 1876 29
55.0538 872 13
57.0331 564 8
59.0484 5976 95
60.0531 328 5
67.0537 832 13
69.0327 2996 47
69.0687 680 10
71.0117 316 5
71.0486 1032 16
73.0281 364 5
79.0538 1244 19
81.0328 948 15
81.0693 3488 55
83.0491 1972 31
85.0278 416 6
85.065 416 6
87.0443 1888 30
91.0542 1064 16
93.0701 2588 41
95.0498 1148 18
95.0854 1160 18
97.0287 1932 30
97.0656 1104 17
99.044 1472 23
101.0238 2340 37
105.0707 2108 33
107.0495 328 5
107.0867 1104 17
109.0663 1556 24
111.0446 1092 17
113.0597 604 9
115.0394 5680 90
116.0463 412 6
117.069 1408 22
119.0843 1932 30
121.0643 24944 397
122.0673 2460 39
123.0441 716 11
123.0805 1492 23
125.0591 696 11
127.038 384 6
127.0745 444 7
128.0623 796 12
129.0692 988 15
131.0491 328 5
131.0845 2180 34
132.0564 364 5
133.0643 2600 41
133.0996 812 12
134.0675 416 6
135.043 872 13
135.0794 7928 126
136.0826 872 13
137.0588 2588 41
137.094 436 6
139.0544 1852 29
139.0746 1852 29
141.0534 1308 20
141.0676 604 9
143.0839 1956 31
144.0554 532 8
145.0638 8604 137
145.0993 1064 16
146.0676 1232 19
147.0793 21836 348
148.0839 2076 33
149.058 1636 26
149.0948 1364 21
151.0741 2028 32
153.0524 388 6
153.0691 628 10
153.0879 564 8
155.0693 7488 119
156.0719 736 11
157.0636 988 15
157.0999 1404 22
158.0722 864 13
159.0788 15544 247
160.0826 1340 21
161.0575 1624 25
161.0947 5196 82
162.0972 756 12
163.0745 6548 104
163.1086 412 6
164.0774 980 15
165.0697 6880 109
165.0895 608 9
166.0726 744 11
167.0839 2020 32
167.1046 408 6
168.0898 516 8
169.0632 1492 23
169.0996 764 12
170.0703 772 12
171.0793 46648 743
172.0827 6068 96
173.0578 620 9
173.095 8008 127
174.099 1196 19
175.0747 1692 26
175.1098 1008 16
177.0682 432 6
177.0904 1336 21
178.076 324 5
179.0683 920 14
179.0844 1588 25
180.0753 332 5
180.0925 528 8
181.0633 664 10
181.0851 2348 37
181.0979 1788 28
182.0704 800 12
182.089 444 7
183.0788 3340 53
183.1178 360 5
184.0842 1140 18
185.0577 688 10
185.0947 10588 168
186.0979 1404 22
187.0745 2472 39
187.1101 1128 17
189.0703 1484 23
189.0907 1200 19
190.0741 620 9
191.0847 4064 64
191.1056 708 11
192.0908 2080 33
193.0849 2196 35
193.0994 2288 36
194.0706 436 6
194.0875 368 5
194.1039 504 8
195.0794 3328 53
195.1002 620 9
195.1156 3296 52
196.0875 2692 42
196.1165 728 11
197.0951 29444 469
198.0991 4812 76
199.074 1208 19
199.1101 3888 61
200.1133 828 13
201.0898 1236 19
201.1276 500 7
203.086 680 10
203.107 656 10
204.1095 320 5
205.0999 3724 59
206.1055 1604 25
207.0825 976 15
207.1153 3156 50
208.0872 4796 76
208.1201 644 10
209.095 18144 289
210.1011 5340 85
211.0747 780 12
211.1107 15592 248
212.0782 336 5
212.1152 2664 42
213.09 5036 80
213.1264 19336 308
214.0957 500 7
214.1308 2444 38
215.0841 548 8
215.1044 420 6
215.1415 1760 28
216.0914 500 7
217.0838 484 7
217.1001 2096 33
218.0718 372 5
218.1084 900 14
219.0804 852 13
219.115 1632 26
220.0871 1352 21
220.1225 404 6
221.095 9516 151
221.1311 1024 16
222.102 5220 83
223.1108 62652 999
224.1173 21800 347
225.1266 55792 889
226.0954 820 13
226.1297 9188 146
227.0709 376 5
227.1064 1060 16
227.1403 2504 39
228.0907 336 5
228.1056 324 5
228.1476 552 8
229.0998 1056 16
229.1544 352 5
230.1106 644 10
231.0794 1124 17
231.1154 1916 30
232.0881 1440 22
232.1224 896 14
233.0945 3444 54
233.1324 1916 30
234.1023 4836 77
234.134 576 9
235.1108 25500 406
235.1472 2032 32
236.0812 404 6
236.1152 5148 82
236.1526 452 7
237.0893 3496 55
237.1271 22864 364
238.0959 1412 22
238.1298 3812 60
239.1061 2380 37
239.1427 12688 202
240.1103 552 8
240.1453 3032 48
241.0853 512 8
241.1021 768 12
241.1205 1572 25
241.157 860 13
242.1097 836 13
243.1164 2616 41
244.0858 604 9
244.1239 3112 49
245.0958 4384 69
245.1318 3764 60
246.1035 6532 104
246.136 940 14
247.1112 8940 142
247.1472 2192 34
248.1185 9132 145
249.0899 1304 20
249.1262 19624 312
250.0979 896 14
250.1321 5140 81
251.1059 3748 59
251.1426 12304 196
252.1092 1604 25
252.147 3128 49
253.1209 2948 47
253.1565 3336 53
254.127 944 15
254.1629 712 11
255.1158 1392 22
255.1348 588 9
255.1703 344 5
256.1237 588 9
256.1352 396 6
257.1319 2544 40
258.1053 1420 22
258.1375 900 14
259.1112 6380 101
259.1492 660 10
260.1187 12648 201
261.0902 1544 24
261.1266 27052 431
262.0951 1992 31
262.1328 14280 227
263.1425 48752 777
264.1124 1736 27
264.1463 9680 154
265.1214 6116 97
265.1586 11068 176
266.088 348 5
266.1244 1672 26
266.1621 2372 37
267.1153 364 5
267.1368 3380 53
268.1438 628 10
269.1163 820 13
269.1366 720 11
269.1536 588 9
270.1042 2080 33
271.1081 508 8
271.1371 348 5
271.149 620 9
272.1191 484 7
273.1262 6064 96
274.1011 464 7
274.1333 1816 28
275.1427 35804 570
276.1127 1844 29
276.1466 6976 111
277.1223 5348 85
277.1556 2252 35
278.1283 6028 96
278.164 548 8
279.1015 1036 16
279.1371 19952 318
279.1742 1164 18
280.105 632 10
280.1433 6552 104
281.1528 13868 221
282.1551 3160 50
283.1484 8424 134
284.151 2140 34
284.1724 360 5
285.1272 6200 98
286.1316 1456 23
288.1132 3824 60
289.1173 1160 18
290.128 744 11
291.1378 7860 125
292.1442 1776 28
293.118 1716 27
293.1531 22008 350
294.1236 508 8
294.1568 4220 67
295.1308 2072 33
295.1499 1672 26
296.1359 1036 16
297.1109 740 11
297.1465 1180 18
298.1493 464 7
299.1435 532 8
299.1679 624 9
300.1526 456 7
301.127 344 5
301.1605 4400 70
302.1645 984 15
303.1377 22852 364
304.1413 5068 80
305.1458 628 10
306.1241 828 13
307.1346 392 6
309.1474 3512 55
310.1526 744 11
311.1642 8088 128
312.168 1580 25
313.1601 1432 22
314.1644 420 6
319.1338 464 7
319.1698 404 6
321.1487 43448 692
322.152 10452 166
323.1486 1956 31
324.1471 628 10
324.1641 368 5
325.1524 452 7
327.1597 488 7
329.1752 332 5
331.1697 2156 34
339.1593 30700 489
340.1627 6880 109
341.1565 3908 62
342.157 1172 18
343.1649 392 6
357.1707 640 10
357.2055 400 6
359.1642 1128 17
360.1649 524 8
360.1775 344 5
361.1759 464 7
379.1906 472 7
397.2012 4768 76
398.2042 1820 29
399.1981 320 5
415.2104 548 8
417.2068 5856 93
418.209 1716 27
435.2158 1356 21
//
