ACCESSION: MSBNK-Athens_Univ-AU240202
RECORD_TITLE: Fluocinolone acetonide; LC-ESI-QTOF; MS2; CE: 20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV
AC$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 8.740 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$FOCUSED_ION: BASE_PEAK 435.2178
MS$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: splash10-0ly9-0298300000-fa59462297f7ca058f67
PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
121.0638 C8H9O+ 2 121.0648 -8.41
122.0671 C7[13]CH9O+ 1 122.0687 -12.84
123.0801 C8H11O+ 3 123.0804 -2.68
125.0596 C7H9O2+ 3 125.0597 -0.83
127.075 C7H11O2+ 3 127.0754 -2.42
131.0846 C10H11+ 3 131.0855 -7.2
133.064 C9H9O+ 3 133.0648 -6.18
135.0434 C8H7O2+ 3 135.0441 -4.6
135.0789 C9H11O+ 2 135.0804 -11.47
137.0579 C8H9O2+ 2 137.0597 -13.3
137.0749 C9H10F+ 2 137.0761 -9.14
139.054 C11H7+ 3 139.0542 -1.76
139.0747 C8H11O2+ 3 139.0754 -4.38
141.0537 C7H9O3+ 4 141.0546 -6.54
145.0635 C10H9O+ 3 145.0648 -8.81
147.0798 C10H11O+ 3 147.0804 -4.61
148.082 C9[13]CH11O+ 1 148.0843 -15.82
149.0577 C9H9O2+ 2 149.0597 -13.44
151.0373 C8H7O3+ 3 151.039 -11.02
151.0739 C9H11O2+ 3 151.0754 -9.86
152.0773 C8[13]CH11O2+ 1 152.0793 -12.86
153.0535 C8H9O3+ 4 153.0546 -7.42
153.068 C12H9+ 2 153.0699 -12.12
153.0908 C9H13O2+ 3 153.091 -1.62
155.0693 C8H11O3+ 4 155.0703 -6.24
156.0738 C7[13]CH11O3+ 1 156.0742 -2.18
157.064 C11H9O+ 3 157.0648 -4.95
159.0635 C7H11O4+ 5 159.0652 -10.5
159.0789 C11H11O+ 3 159.0804 -9.97
160.0825 C10[13]CH11O+ 1 160.0843 -11.78
161.0591 C10H9O2+ 3 161.0597 -3.76
161.0943 C11H13O+ 2 161.0961 -11.15
163.056 C7H9F2O2+ 4 163.0565 -2.96
163.0747 C10H11O2+ 3 163.0754 -3.91
165.07 C13H9+ 3 165.0699 0.83
165.0925 C7H14FO3+ 3 165.0921 1.95
167.0695 C9H11O3+ 4 167.0703 -4.52
167.0855 C13H11+ 3 167.0855 -0.05
169.0491 C8H9O4+ 4 169.0495 -2.59
169.0637 C12H9O+ 3 169.0648 -6.5
171.0789 C12H11O+ 3 171.0804 -8.86
172.0839 C11[13]CH11O+ 1 172.0843 -2.51
173.0594 C11H9O2+ 3 173.0597 -1.99
173.095 C12H13O+ 3 173.0961 -6.18
175.0752 C11H11O2+ 3 175.0754 -0.86
177.0536 C10H9O3+ 4 177.0546 -5.52
177.0722 C8H11F2O2+ 4 177.0722 0.23
177.0877 C11H13O2+ 1 177.091 -18.65
179.0526 C7H9F2O3+ 4 179.0514 6.44
179.0686 C10H11O3+ 4 179.0703 -9.41
179.0856 C14H11+ 3 179.0855 0.39
179.1054 C11H15O2+ 3 179.1067 -7.1
181.0641 C13H9O+ 3 181.0648 -3.64
181.0834 C11H11F2+ 3 181.0823 5.81
181.0967 C14H13+ 1 181.1012 -24.6
183.0799 C13H11O+ 3 183.0804 -3.07
184.0836 C12[13]CH11O+ 1 184.0843 -3.94
185.0593 C12H9O2+ 3 185.0597 -2.43
185.0742 C13H10F+ 2 185.0761 -10.11
185.0951 C13H13O+ 3 185.0961 -5.23
186.0642 C11[13]CH9O2+ 1 186.0636 3.08
187.0743 C12H11O2+ 3 187.0754 -5.47
187.1098 C13H15O+ 3 187.1117 -10.26
188.0774 C11[13]CH11O2+ 1 188.0793 -9.81
189.0693 C15H9+ 3 189.0699 -3.21
189.0907 C12H13O2+ 3 189.091 -1.52
191.0699 C11H11O3+ 4 191.0703 -1.69
191.0864 C12H12FO+ 3 191.0867 -1.38
193.0642 C14H9O+ 3 193.0648 -3.2
193.0837 C12H11F2+ 4 193.0823 6.93
193.0995 C15H13+ 3 193.1012 -8.45
195.08 C14H11O+ 3 195.0804 -2.3
195.1023 C8H16FO4+ 4 195.1027 -2.33
195.1168 C15H15+ 3 195.1168 0.07
196.0853 C14H12O+ 2 196.0883 -15.14
197.0594 C13H9O2+ 3 197.0597 -1.38
197.081 C10H13O4+ 5 197.0808 0.68
197.0952 C14H13O+ 3 197.0961 -4.63
198.0994 C13[13]CH13O+ 1 198.1 -3.03
199.0739 C13H11O2+ 3 199.0754 -7.44
199.0931 C11H13F2O+ 4 199.0929 0.98
199.1106 C14H15O+ 3 199.1117 -5.8
201.0904 C13H13O2+ 3 201.091 -3.09
203.0717 C9H12FO4+ 4 203.0714 1.62
203.0846 C16H11+ 3 203.0855 -4.41
205.0647 C15H9O+ 3 205.0648 -0.61
205.0846 C12H13O3+ 4 205.0859 -6.44
205.1034 C10H15F2O2+ 5 205.1035 -0.09
206.0678 C14[13]CH9O+ 1 206.0687 -4.3
207.0788 C15H11O+ 3 207.0804 -8.06
208.0853 C15H12O+ 2 208.0883 -14.11
209.0784 C12H11F2O+ 5 209.0772 5.3
209.0953 C15H13O+ 3 209.0961 -3.79
210.1003 C14[13]CH13O+ 1 210.1 1.66
211.0739 C14H11O2+ 3 211.0754 -6.99
211.1105 C15H15O+ 3 211.1117 -5.81
212.1163 C15H16O+ 2 212.1196 -15.27
213.0733 C11H11F2O2+ 5 213.0722 5.5
213.0907 C14H13O2+ 3 213.091 -1.44
213.1253 C9H19F2O3+ 3 213.1297 -20.75
214.0925 C13[13]CH13O2+ 1 214.0949 -11.25
214.1349 C8[13]CH19F2O3+ 1 214.1336 5.99
215.086 C17H11+ 3 215.0855 2.06
215.1042 C14H15O2+ 3 215.1067 -11.57
217.0863 C13H13O3+ 4 217.0859 1.55
217.0986 C17H13+ 3 217.1012 -11.93
219.0996 C14H13F2+ 4 219.098 7.57
219.1147 C17H15+ 3 219.1168 -9.48
221.0949 C16H13O+ 3 221.0961 -5.29
222.1016 C16H14O+ 3 222.1039 -10.36
223.0749 C15H11O2+ 3 223.0754 -1.92
223.1108 C16H15O+ 3 223.1117 -4.24
224.0794 C14[13]CH11O2+ 1 224.0793 0.69
224.114 C15[13]CH15O+ 1 224.1156 -7.27
225.0902 C15H13O2+ 3 225.091 -3.52
225.1264 C16H17O+ 3 225.1274 -4.47
226.1305 C15[13]CH17O+ 1 226.1313 -3.61
227.0685 C15H9F2+ 4 227.0667 7.85
227.0841 C18H11+ 3 227.0855 -6.21
227.1071 C15H15O2+ 3 227.1067 2.07
227.1432 C16H19O+ 4 227.143 0.86
229.0835 C15H11F2+ 4 229.0823 5.12
229.1027 C15H14FO+ 5 229.1023 1.69
231.0818 C14H12FO2+ 4 231.0816 0.96
231.118 C18H15+ 4 231.1168 5.05
232.1183 C17[13]CH15+ 1 232.1207 -10.36
233.0957 C17H13O+ 3 233.0961 -1.52
233.1288 C18H17+ 2 233.1325 -15.68
234.1008 C17H14O+ 3 234.1039 -13.34
235.1103 C17H15O+ 3 235.1117 -5.98
236.1159 C16[13]CH15O+ 1 236.1156 1.2
237.0906 C16H13O2+ 3 237.091 -1.65
237.1268 C17H17O+ 3 237.1274 -2.34
238.0963 C16H14O2+ 3 238.0988 -10.77
238.1296 C16[13]CH17O+ 1 238.1313 -7.32
239.106 C16H15O2+ 3 239.1067 -2.78
239.1309 C7H21F2O6+ 3 239.1301 3.47
239.1426 C17H19O+ 3 239.143 -1.72
240.1098 C15[13]CH15O2+ 1 240.1106 -3.36
241.087 C12H14FO4+ 4 241.0871 -0.24
241.1215 C16H17O2+ 3 241.1223 -3.53
242.0917 C11[13]CH14FO4+ 1 242.091 2.84
242.1238 C15[13]CH17O2+ 1 242.1262 -9.92
243.0802 C18H11O+ 3 243.0804 -0.9
243.1175 C16H16FO+ 4 243.118 -1.96
244.1214 C15[13]CH16FO+ 1 244.1219 -2.03
245.0959 C18H13O+ 4 245.0961 -0.68
245.1313 C19H17+ 3 245.1325 -4.61
246.1012 C18H14O+ 3 246.1039 -10.94
246.1356 C19H18+ 2 246.1403 -19.1
247.1108 C18H15O+ 3 247.1117 -3.85
248.1153 C17[13]CH15O+ 1 248.1156 -1.45
249.0909 C17H13O2+ 3 249.091 -0.53
249.1268 C18H17O+ 3 249.1274 -2.52
250.0929 C16[13]CH13O2+ 1 250.0949 -8.07
250.1313 C17[13]CH17O+ 1 250.1313 0.09
251.105 C17H15O2+ 3 251.1067 -6.64
251.1416 C18H19O+ 3 251.143 -5.55
252.109 C16[13]CH15O2+ 1 252.1106 -6.32
252.1467 C17[13]CH19O+ 1 252.1469 -0.81
253.1214 C17H17O2+ 3 253.1223 -3.46
254.1248 C16[13]CH17O2+ 1 254.1262 -5.57
255.1162 C14H17F2O2+ 3 255.1191 -11.36
255.1363 C17H19O2+ 3 255.138 -6.34
256.1229 C13[13]CH17F2O2+ 1 256.123 -0.49
256.1389 C16[13]CH19O2+ 1 256.1419 -11.7
257.0957 C19H13O+ 4 257.0961 -1.49
257.1331 C14H19F2O2+ 5 257.1348 -6.58
258.1018 C19H14O+ 3 258.1039 -8.05
258.1383 C13[13]CH19F2O2+ 1 258.1387 -1.24
259.1114 C19H15O+ 4 259.1117 -1.5
260.1162 C19H16O+ 3 260.1196 -13.03
261.1264 C19H17O+ 3 261.1274 -3.98
262.0945 C18H14O2+ 2 262.0988 -16.45
262.1304 C18[13]CH17O+ 1 262.1313 -3.28
263.1053 C18H15O2+ 3 263.1067 -4.97
263.1421 C19H19O+ 3 263.143 -3.7
264.1107 C17[13]CH15O2+ 1 264.1106 0.46
264.1457 C18[13]CH19O+ 1 264.1469 -4.57
265.1216 C18H17O2+ 3 265.1223 -2.63
266.1243 C17[13]CH17O2+ 1 266.1262 -7.2
267.1027 C14H16FO4+ 4 267.1027 -0.17
267.1366 C15H20FO3+ 3 267.1391 -9.28
268.1429 C14[13]CH20FO3+ 1 268.143 -0.53
269.0974 C17H14FO2+ 4 269.0972 0.74
269.1146 C18H15F2+ 4 269.1136 3.42
269.1293 C21H17+ 3 269.1325 -11.91
269.153 C18H21O2+ 3 269.1536 -2.31
270.121 C18H16F2+ 4 270.1215 -1.63
271.1116 C20H15O+ 4 271.1117 -0.67
271.1491 C18H20FO+ 5 271.1493 -0.55
272.1127 C10H18F2O6+ 1 272.1066 22.31
273.1272 C20H17O+ 4 273.1274 -0.79
274.1299 C19[13]CH17O+ 1 274.1313 -4.93
275.1061 C19H15O2+ 3 275.1067 -1.9
275.1429 C20H19O+ 4 275.143 -0.51
276.1128 C19H16O2+ 3 276.1145 -5.99
276.1489 C20H20O+ 3 276.1509 -7.29
277.1212 C19H17O2+ 3 277.1223 -3.9
277.1575 C20H21O+ 3 277.1587 -4.46
278.1266 C18[13]CH17O2+ 1 278.1262 1.41
278.1621 C19[13]CH21O+ 1 278.1626 -1.95
279.1366 C19H19O2+ 3 279.138 -5
279.1718 C20H23O+ 3 279.1743 -9.05
280.1399 C18[13]CH19O2+ 1 280.1419 -6.91
281.1336 C22H17+ 5 281.1325 3.94
281.1511 C19H21O2+ 3 281.1536 -8.87
282.1324 C21[13]CH17+ 1 282.1364 -14.04
282.1557 C18[13]CH21O2+ 1 282.1575 -6.3
283.111 C21H15O+ 4 283.1117 -2.63
283.1476 C22H19+ 4 283.1481 -1.91
285.1291 C18H18FO2+ 4 285.1285 1.85
287.1065 C20H15O2+ 3 287.1067 -0.41
287.1427 C21H19O+ 4 287.143 -1.04
288.1129 C20H16O2+ 3 288.1145 -5.58
289.1216 C17H18FO3+ 3 289.1234 -6.24
289.1571 C21H21O+ 3 289.1587 -5.53
290.1274 C16[13]CH18FO3+ 1 290.1274 0.19
291.1374 C20H19O2+ 3 291.138 -1.87
291.1745 C21H23O+ 4 291.1743 0.49
292.1412 C19[13]CH19O2+ 1 292.1419 -2.28
293.1182 C20H15F2+ 4 293.1136 15.63
294.1235 C19[13]CH15F2+ 1 294.1175 20.11
295.1327 C19H19O3+ 4 295.1329 -0.71
296.1363 C18[13]CH19O3+ 1 296.1368 -1.51
296.1719 C20H24O2+ 2 296.1771 -17.45
297.131 C22H17O+ 4 297.1274 12.01
297.1463 C20H19F2+ 4 297.1449 4.73
297.1846 C20H25O2+ 3 297.1849 -1.06
298.1324 C21[13]CH17O+ 1 298.1313 3.54
298.1507 C19[13]CH19F2+ 1 298.1488 6.29
299.1432 C22H19O+ 4 299.143 0.48
300.1458 C21[13]CH19O+ 1 300.1469 -3.71
301.1227 C21H17O2+ 3 301.1223 1.16
301.1531 C22H21O+ 3 301.1587 -18.67
302.1259 C20[13]CH17O2+ 1 302.1262 -1.17
303.1189 C18H17F2O2+ 5 303.1191 -0.77
303.1364 C21H19O2+ 3 303.138 -5.18
304.1122 C14H18F2O5+ 4 304.1117 1.85
305.1243 C14H19F2O5+ 3 305.1195 15.58
307.132 C20H19O3+ 4 307.1329 -2.89
307.1688 C21H23O2+ 3 307.1693 -1.61
308.1354 C19[13]CH19O3+ 1 308.1368 -4.48
309.1475 C21H19F2+ 4 309.1449 8.32
310.1506 C20[13]CH19F2+ 1 310.1488 5.54
310.1902 C21H26O2+ 3 310.1927 -8.05
311.1434 C23H19O+ 4 311.143 1.04
312.1469 C22[13]CH19O+ 1 312.1469 -0.14
313.1205 C22H17O2+ 3 313.1223 -5.87
313.1411 C19H21O4+ 5 313.1434 -7.48
314.149 C18[13]CH21O4+ 1 314.1473 5.41
315.138 C22H19O2+ 3 315.138 0.17
316.141 C21[13]CH19O2+ 1 316.1419 -2.56
317.1371 C18H21O5+ 4 317.1384 -3.84
319.1325 C21H19O3+ 4 319.1329 -1.04
320.1364 C20[13]CH19O3+ 1 320.1368 -1.11
321.1287 C18H19F2O3+ 4 321.1297 -2.89
321.1592 C22H22FO+ 2 321.1649 -17.9
322.1336 C17[13]CH19F2O3+ 1 322.1336 0.05
323.1367 C24H19O+ 4 323.143 -19.64
325.1441 C14H23F2O6+ 5 325.1457 -5.12
325.1802 C21H25O3+ 4 325.1798 1.06
326.1508 C13[13]CH23F2O6+ 1 326.1496 3.5
327.1414 C17H21F2O4+ 3 327.1402 3.45
327.1562 C21H21F2O+ 5 327.1555 2.05
327.1972 C15H29F2O5+ 4 327.1978 -1.57
328.1611 C20[13]CH21F2O+ 1 328.1594 5.26
329.155 C23H21O2+ 3 329.1536 4.24
330.1568 C22[13]CH21O2+ 1 330.1575 -2.08
331.1512 C20H21F2O2+ 4 331.1504 2.42
332.1553 C19[13]CH21F2O2+ 1 332.1543 3.1
333.1291 C19H19F2O3+ 3 333.1297 -1.71
335.1418 C22H20FO2+ 3 335.1442 -7.18
337.1431 C21H21O4+ 4 337.1434 -1.14
337.1779 C23H23F2+ 4 337.1762 5.08
338.1474 C20[13]CH21O4+ 1 338.1473 0.15
338.1805 C22[13]CH23F2+ 1 338.1801 1.03
339.1396 C24H19O2+ 3 339.138 4.84
340.1423 C23[13]CH19O2+ 1 340.1419 1.39
341.1379 C20H21O5+ 4 341.1384 -1.29
342.1409 C19[13]CH21O5+ 1 342.1423 -3.94
345.1503 C23H21O3+ 4 345.1485 5.19
346.1529 C22[13]CH21O3+ 1 346.1524 1.35
347.164 C17H25F2O5+ 4 347.1665 -6.97
348.1703 C16[13]CH25F2O5+ 1 348.1704 -0.18
349.1611 C23H22FO2+ 3 349.1598 3.52
350.1641 C22[13]CH22FO2+ 1 350.1637 0.94
351.1729 C23H24FO2+ 3 351.1755 -7.44
353.139 C18H22FO6+ 3 353.1395 -1.35
355.1541 C21H23O5+ 3 355.154 0.25
355.1886 C23H25F2O+ 4 355.1868 4.96
356.1564 C20[13]CH23O5+ 1 356.1579 -4.28
356.1914 C22[13]CH25F2O+ 1 356.1907 1.97
357.1499 C21H22FO4+ 3 357.1497 0.61
358.1535 C20[13]CH22FO4+ 1 358.1536 -0.3
359.1467 C21H21F2O3+ 3 359.1453 3.8
360.1489 C20[13]CH21F2O3+ 1 360.1492 -0.8
361.1443 C20H22FO5+ 4 361.1446 -0.77
365.1557 C23H22FO3+ 2 365.1547 2.6
366.1561 C22[13]CH22FO3+ 1 366.1587 -6.9
367.175 C20H25F2O4+ 2 367.1715 9.42
373.201 C22H29O5+ 3 373.201 0.21
374.2042 C23H28F2O2+ 3 374.2052 -2.74
375.1593 C18H25F2O6+ 3 375.1614 -5.5
375.1953 C22H28FO4+ 2 375.1966 -3.39
376.165 C17[13]CH25F2O6+ 1 376.1653 -0.66
376.1935 C21[13]CH28FO4+ 1 376.2005 -18.77
377.1556 C24H22FO3+ 2 377.1547 2.33
378.1606 C23[13]CH22FO3+ 1 378.1587 5.1
379.1565 C22[13]C2H22FO3+ 1 379.162 -14.46
381.1507 C20H23F2O5+ 2 381.1508 -0.31
387.1979 C20H29F2O5+ 2 387.1978 0.48
393.2074 C22H30FO5+ 2 393.2072 0.66
394.2113 C21[13]CH30FO5+ 1 394.2111 0.49
395.1706 C21H25F2O5+ 2 395.1665 10.39
396.1781 C20[13]CH25F2O5+ 1 396.1704 19.66
397.1882 C21H27F2O5+ 2 397.1821 15.44
413.1954 C24H29O6+ 1 413.1959 -1.08
414.199 C23[13]CH29O6+ 1 414.1998 -1.77
415.1916 C24H28FO5+ 2 415.1915 0.22
416.1948 C23[13]CH28FO5+ 1 416.1954 -1.61
417.1977 C22[13]C2H28FO5+ 1 417.1988 -2.71
433.2014 C24H30FO6+ 1 433.2021 -1.56
434.2044 C23[13]CH30FO6+ 1 434.206 -3.75
435.2036 C24H29F2O5+ 1 435.1978 13.48
436.1998 C24H30F2O5+ 1 436.2056 -13.2
453.2078 C24H31F2O6+ 1 453.2083 -1.1
454.2119 C23[13]CH31F2O6+ 1 454.2122 -0.81
PK$NUM_PEAK: 328
PK$PEAK: m/z int. rel.int.
121.0638 25720 400
122.0671 3104 48
123.0801 492 7
125.0596 1016 15
127.075 516 8
131.0846 332 5
133.064 2264 35
135.0434 616 9
135.0789 5052 78
137.0579 1916 29
137.0749 568 8
139.054 916 14
139.0747 1124 17
141.0537 960 14
145.0635 1916 29
147.0798 4296 66
148.082 548 8
149.0577 696 10
151.0373 668 10
151.0739 3212 49
152.0773 428 6
153.0535 1452 22
153.068 612 9
153.0908 1060 16
155.0693 3848 59
156.0738 332 5
157.064 336 5
159.0635 456 7
159.0789 5196 80
160.0825 788 12
161.0591 2228 34
161.0943 1084 16
163.056 356 5
163.0747 1584 24
165.07 1904 29
165.0925 352 5
167.0695 608 9
167.0855 648 10
169.0491 556 8
169.0637 1080 16
171.0789 5648 87
172.0839 700 10
173.0594 456 7
173.095 1376 21
175.0752 1884 29
177.0536 568 8
177.0722 596 9
177.0877 380 5
179.0526 400 6
179.0686 2064 32
179.0856 2256 35
179.1054 324 5
181.0641 848 13
181.0834 632 9
181.0967 344 5
183.0799 2412 37
184.0836 428 6
185.0593 3232 50
185.0742 476 7
185.0951 2504 38
186.0642 384 5
187.0743 2440 37
187.1098 776 12
188.0774 492 7
189.0693 1592 24
189.0907 636 9
191.0699 392 6
191.0864 1360 21
193.0642 488 7
193.0837 456 7
193.0995 620 9
195.08 2092 32
195.1023 488 7
195.1168 360 5
196.0853 640 9
197.0594 324 5
197.081 820 12
197.0952 4552 70
198.0994 404 6
199.0739 776 12
199.0931 436 6
199.1106 1424 22
201.0904 1132 17
203.0717 908 14
203.0846 564 8
205.0647 3356 52
205.0846 380 5
205.1034 408 6
206.0678 604 9
207.0788 720 11
208.0853 396 6
209.0784 380 5
209.0953 3856 59
210.1003 956 14
211.0739 956 14
211.1105 7476 116
212.1163 2092 32
213.0733 540 8
213.0907 2304 35
213.1253 2984 46
214.0925 324 5
214.1349 460 7
215.086 668 10
215.1042 572 8
217.0863 328 5
217.0986 432 6
219.0996 376 5
219.1147 492 7
221.0949 2780 43
222.1016 2036 31
223.0749 4312 67
223.1108 18024 280
224.0794 612 9
224.114 3220 50
225.0902 1564 24
225.1264 2800 43
226.1305 776 12
227.0685 512 7
227.0841 324 5
227.1071 1348 20
227.1432 612 9
229.0835 744 11
229.1027 656 10
231.0818 576 8
231.118 2124 33
232.1183 392 6
233.0957 1160 18
233.1288 688 10
234.1008 516 8
235.1103 7528 117
236.1159 1648 25
237.0906 1284 19
237.1268 9204 143
238.0963 628 9
238.1296 1564 24
239.106 10916 169
239.1309 776 12
239.1426 1540 23
240.1098 2292 35
241.087 5096 79
241.1215 10908 169
242.0917 916 14
242.1238 2056 31
243.0802 416 6
243.1175 2036 31
244.1214 496 7
245.0959 600 9
245.1313 948 14
246.1012 328 5
246.1356 344 5
247.1108 4444 69
248.1153 1496 23
249.0909 1580 24
249.1268 7112 110
250.0929 360 5
250.1313 1100 17
251.105 8636 134
251.1416 6512 101
252.109 1856 28
252.1467 1708 26
253.1214 27660 430
254.1248 5392 83
255.1162 1736 27
255.1363 1972 30
256.1229 504 7
256.1389 612 9
257.0957 496 7
257.1331 1680 26
258.1018 604 9
258.1383 356 5
259.1114 3488 54
260.1162 1644 25
261.1264 14588 226
262.0945 440 6
262.1304 3364 52
263.1053 4004 62
263.1421 7028 109
264.1107 1052 16
264.1457 1568 24
265.1216 4312 67
266.1243 1288 20
267.1027 1424 22
267.1366 3784 58
268.1429 540 8
269.0974 484 7
269.1146 1056 16
269.1293 1260 19
269.153 1068 16
270.121 360 5
271.1116 1088 16
271.1491 1140 17
272.1127 408 6
273.1272 10236 159
274.1299 2184 33
275.1061 2068 32
275.1429 1516 23
276.1128 1700 26
276.1489 520 8
277.1212 13748 213
277.1575 1292 20
278.1266 3856 59
278.1621 400 6
279.1366 21848 339
279.1718 2000 31
280.1399 4276 66
281.1336 5524 85
281.1511 5576 86
282.1324 1416 22
282.1557 1124 17
283.111 704 10
283.1476 1296 20
285.1291 840 13
287.1065 632 9
287.1427 836 13
288.1129 352 5
289.1216 4544 70
289.1571 560 8
290.1274 976 15
291.1374 22624 352
291.1745 1264 19
292.1412 5164 80
293.1182 4400 68
294.1235 1616 25
295.1327 10452 162
296.1363 2344 36
296.1719 428 6
297.131 2788 43
297.1463 4468 69
297.1846 720 11
298.1324 1124 17
298.1507 1028 15
299.1432 7748 120
300.1458 1392 21
301.1227 7844 122
301.1531 1220 18
302.1259 1548 24
303.1189 496 7
303.1364 368 5
304.1122 916 14
305.1243 596 9
307.132 6664 103
307.1688 544 8
308.1354 1748 27
309.1475 18208 283
310.1506 4368 67
310.1902 348 5
311.1434 5620 87
312.1469 1012 15
313.1205 944 14
313.1411 1260 19
314.149 360 5
315.138 1916 29
316.141 352 5
317.1371 1600 24
319.1325 29448 458
320.1364 6600 102
321.1287 3212 49
321.1592 480 7
322.1336 724 11
323.1367 392 6
325.1441 1836 28
325.1802 488 7
326.1508 476 7
327.1414 1920 29
327.1562 4108 63
327.1972 556 8
328.1611 1412 21
329.155 6372 99
330.1568 1164 18
331.1512 3280 51
332.1553 680 10
333.1291 548 8
335.1418 700 10
337.1431 64204 999
337.1779 3404 52
338.1474 14808 230
338.1805 1152 17
339.1396 12496 194
340.1423 3240 50
341.1379 1516 23
342.1409 432 6
345.1503 1440 22
346.1529 456 7
347.164 2688 41
348.1703 732 11
349.1611 2964 46
350.1641 652 10
351.1729 336 5
353.139 452 7
355.1541 37388 581
355.1886 5276 82
356.1564 9256 144
356.1914 1212 18
357.1499 20556 319
358.1535 5700 88
359.1467 5360 83
360.1489 1112 17
361.1443 1264 19
365.1557 2624 40
366.1561 564 8
367.175 908 14
373.201 660 10
374.2042 432 6
375.1593 17212 267
375.1953 4140 64
376.165 4064 63
376.1935 908 14
377.1556 8348 129
378.1606 2008 31
379.1565 356 5
381.1507 668 10
387.1979 532 8
393.2074 9252 143
394.2113 2836 44
395.1706 3276 50
396.1781 856 13
397.1882 448 6
413.1954 49052 763
414.199 13856 215
415.1916 16384 254
416.1948 4540 70
417.1977 632 9
433.2014 24976 388
434.2044 7044 109
435.2036 2116 32
436.1998 852 13
453.2078 21672 337
454.2119 6692 104
//
