ACCESSION: MSBNK-Athens_Univ-AU283704
RECORD_TITLE: Clobetasol propionate; 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 2837
CH$NAME: Clobetasol propionate
CH$NAME: [(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
CH$COMPOUND_CLASS: N/A; Environmental Standard
CH$FORMULA: C25H32ClFO5
CH$EXACT_MASS: 466.1922300
CH$SMILES: CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl
CH$IUPAC: InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1
CH$LINK: CAS
25122-41-2
CH$LINK: CHEBI
31414
CH$LINK: KEGG
D01272
CH$LINK: PUBCHEM
CID:32798
CH$LINK: INCHIKEY
CBGUOGMQLZIXBE-XGQKBEPLSA-N
CH$LINK: CHEMSPIDER
30399
CH$LINK: COMPTOX
DTXSID6045907
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 10.681 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$FOCUSED_ION: BASE_PEAK 313.2164
MS$FOCUSED_ION: PRECURSOR_M/Z 467.1995
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: splash10-03mj-0790000000-53f8db400deb0783d6c4
PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
115.0544 C9H7+ 4 115.0542 1.76
116.0614 ClFH14O3+ 4 116.061 3.19
117.0694 C9H9+ 4 117.0699 -4.35
119.0851 C9H11+ 4 119.0855 -3.98
120.0884 C3H17ClO2+ 1 120.0912 -22.63
121.064 C8H9O+ 3 121.0648 -6.59
121.1005 C9H13+ 4 121.1012 -5.26
122.0667 C7[13]CH9O+ 1 122.0687 -16.73
122.1035 C8[13]CH13+ 1 122.1051 -12.74
123.0814 C5H12FO2+ 2 123.0816 -1.32
127.0295 C7H8Cl+ 2 127.0309 -11.05
128.0614 CH14ClFO3+ 4 128.061 3.03
129.0089 C6H6ClO+ 2 129.0102 -9.66
129.0691 CH15ClFO3+ 4 129.0688 2.04
130.0749 C4H15ClO2+ 3 130.0755 -4.74
131.0475 ClFH13O4+ 4 131.0481 -4.25
131.0845 C10H11+ 4 131.0855 -7.75
132.0554 ClFH14O4+ 4 132.0559 -3.74
132.0888 C9[13]CH11+ 1 132.0894 -4.51
133.0411 C6H10ClO+ 2 133.0415 -2.74
133.0637 ClFH15O4+ 4 133.0637 -0.6
133.1005 C10H13+ 4 133.1012 -4.72
134.0699 C3H15ClO3+ 3 134.0704 -3.92
134.1044 C9[13]CH13+ 1 134.1051 -4.97
135.0793 C9H11O+ 4 135.0804 -8.62
136.0841 C8[13]CH11O+ 1 136.0843 -2.05
137.0949 ClFH19O4+ 4 137.095 -0.78
141.0439 C8H10Cl+ 1 141.0466 -18.93
141.0689 C2H15ClFO3+ 4 141.0688 0.87
142.0767 C2H16ClFO3+ 4 142.0767 0.21
143.0249 C7H8ClO+ 2 143.0258 -6.2
143.0611 C8H12Cl+ 2 143.0622 -7.77
143.0841 C8H12FO+ 4 143.0867 -18.14
144.0557 CH14ClFO4+ 4 144.0559 -1.26
144.0912 C7[13]CH12FO+ 1 144.0906 4.23
145.0403 C7H10ClO+ 2 145.0415 -7.93
145.0635 C10H9O+ 4 145.0648 -9.05
145.1003 C11H13+ 4 145.1012 -6.39
146.0714 C9[13]CH9O+ 1 146.0687 18.71
146.1048 C10[13]CH13+ 1 146.1051 -1.95
147.0796 C10H11O+ 4 147.0804 -5.75
148.0832 C9[13]CH11O+ 1 148.0843 -8.05
149.0948 C10H13O+ 4 149.0961 -8.87
150.0989 C9[13]CH13O+ 1 150.1 -7.29
151.0743 ClFH17O5+ 4 151.0743 0.21
153.0444 C9H10Cl+ 2 153.0466 -14.03
153.0684 C3H15ClFO3+ 4 153.0688 -2.71
155.0596 C9H12Cl+ 2 155.0622 -17.08
155.084 C3H17ClFO3+ 4 155.0845 -3.04
156.055 C5H13ClO3+ 4 156.0548 1.36
156.0913 C6H17ClO2+ 4 156.0912 0.81
157.0418 C8H10ClO+ 3 157.0415 1.98
157.0642 C2H15ClFO4+ 4 157.0637 2.74
157.077 C9H14Cl+ 2 157.0779 -5.18
157.1004 C12H13+ 4 157.1012 -5.21
158.0713 C2H16ClFO4+ 4 158.0716 -1.85
158.1051 C11[13]CH13+ 1 158.1051 -0.01
159.0793 C11H11O+ 4 159.0804 -6.98
160.0838 C10[13]CH11O+ 1 160.0843 -3.52
161.0581 C10H9O2+ 4 161.0597 -10.22
161.0949 C11H13O+ 4 161.0961 -7.61
162.0645 C9[13]CH9O2+ 1 162.0636 5.38
162.0977 C10[13]CH13O+ 1 162.1 -14.08
163.0741 CH17ClFO5+ 4 163.0743 -1.34
163.1078 C5H20ClO3+ 3 163.1095 -10.71
165.0692 C4H15ClFO3+ 4 165.0688 2.05
166.0743 C7H15ClO2+ 3 166.0755 -7.31
167.0608 C10H12Cl+ 2 167.0622 -8.48
167.0845 C4H17ClFO3+ 4 167.0845 -0.1
168.0628 C9[13]CH12Cl+ 1 168.0661 -19.75
168.0916 C7H17ClO2+ 4 168.0912 2.72
169.0409 C9H10ClO+ 3 169.0415 -3.19
169.0604 C10H12[37]Cl+ 1 169.0598 3.4
169.1011 C13H13+ 4 169.1012 -0.27
170.0722 C12H10O+ 4 170.0726 -2.22
170.1061 C7H19ClO2+ 4 170.1068 -3.97
171.0562 C9H12ClO+ 3 171.0571 -5.2
171.0793 C12H11O+ 4 171.0804 -6.72
171.1164 C13H15+ 4 171.1168 -2.22
172.0604 C8[13]CH12ClO+ 1 172.061 -3.9
172.0835 C11[13]CH11O+ 1 172.0843 -4.65
172.118 C12[13]CH15+ 1 172.1207 -16.03
173.0523 C9H12[37]ClO+ 1 173.0547 -13.87
173.0948 C12H13O+ 4 173.0961 -7.56
174.0993 C11[13]CH13O+ 1 174.1 -3.99
175.0743 C2H17ClFO5+ 4 175.0743 -0.08
175.0907 C12H12F+ 3 175.0918 -6.12
175.1119 C12H15O+ 4 175.1117 0.95
177.0897 C2H19ClFO5+ 4 177.09 -1.19
178.077 C5H16ClFO3+ 4 178.0767 1.98
179.0643 C8H13ClFO+ 3 179.0633 5.13
179.0839 C5H17ClFO3+ 4 179.0845 -3.04
180.0913 C8H17ClO2+ 4 180.0912 0.81
181.0636 C4H15ClFO4+ 4 181.0637 -0.8
181.0748 C11H14Cl+ 2 181.0779 -17.14
181.0996 C5H19ClFO3+ 4 181.1001 -3.08
182.073 C13H10O+ 4 182.0726 2.29
182.1077 C5H20ClFO3+ 4 182.108 -1.14
183.0565 C10H12ClO+ 3 183.0571 -3.44
183.0789 C4H17ClFO4+ 4 183.0794 -2.6
183.1164 C14H15+ 4 183.1168 -2.5
184.0861 C7H17ClO3+ 4 184.0861 0.28
184.1207 C8H21ClO2+ 3 184.1225 -9.8
185.0711 C10H14ClO+ 2 185.0728 -9.08
185.0948 C13H13O+ 4 185.0961 -7.04
186.0751 C9[13]CH14ClO+ 1 186.0767 -8.65
186.0989 C12[13]CH13O+ 1 186.1 -5.87
187.0739 C12H11O2+ 4 187.0754 -7.92
187.1111 C13H15O+ 4 187.1117 -3.3
188.0767 C11[13]CH11O2+ 1 188.0793 -13.86
188.1179 C12[13]CH15O+ 1 188.1156 12.08
189.0708 C9H14ClO2+ 4 189.0677 16.61
189.0904 C3H19ClFO5+ 4 189.09 2.2
189.1283 C10H18FO2+ 4 189.1285 -1.18
190.0773 C15H10+ 4 190.0777 -2.01
190.0941 C10H16ClF+ 4 190.0919 11.72
191.0618 C9H14[37]ClO2+ 1 191.0653 -18.18
191.0845 C6H17ClFO3+ 4 191.0845 -0.1
192.0915 C9H17ClO2+ 4 192.0912 1.8
193.041 C11H10ClO+ 3 193.0415 -2.63
193.0778 C12H14Cl+ 2 193.0779 -0.07
193.101 C15H13+ 4 193.1012 -0.75
194.0778 C11H11FO2+ 1 194.0738 20.58
194.1061 C9H19ClO2+ 4 194.1068 -3.78
195.0566 C8H13ClFO2+ 3 195.0583 -8.34
195.078 C8H16ClO3+ 4 195.0782 -1.17
195.1152 C15H15+ 4 195.1168 -8.3
196.0874 C5H18ClFO4+ 4 196.0872 1.16
196.1212 C14[13]CH15+ 1 196.1207 2.5
197.0563 C8H13[37]ClFO2+ 1 197.0559 2.27
197.0713 C8H16[37]ClO3+ 1 197.0758 -23.31
197.0953 C5H19ClFO4+ 4 197.095 1.07
198.1019 C5H20ClFO4+ 4 198.1029 -4.91
199.0742 C13H11O2+ 4 199.0754 -5.56
199.1113 C14H15O+ 4 199.1117 -1.98
200.0789 C12[13]CH11O2+ 1 200.0793 -1.94
200.1006 C5H20[37]ClFO4+ 1 200.1005 0.7
200.1138 C13[13]CH15O+ 1 200.1156 -9.02
201.0894 C4H19ClFO5+ 4 201.09 -2.59
201.1263 C5H23ClFO4+ 4 201.1263 -0.06
202.0764 C7H16ClFO3+ 4 202.0767 -1.01
203.0853 C16H11+ 4 203.0855 -1.35
203.1067 C13H15O2+ 4 203.1067 0.4
204.092 C7H18ClFO3+ 4 204.0923 -1.63
205.0747 C13H14Cl+ 2 205.0779 -15.55
205.1006 C7H19ClFO3+ 4 205.1001 2.5
206.1073 C10H19ClO2+ 4 206.1068 2.46
207.0557 C12H12ClO+ 3 207.0571 -6.66
207.0806 C15H11O+ 4 207.0804 0.67
207.1164 C16H15+ 4 207.1168 -2.04
208.0877 C6H18ClFO4+ 4 208.0872 2.35
208.1198 C10H21ClO2+ 3 208.1225 -12.89
209.0717 C12H14ClO+ 3 209.0728 -5.15
209.0947 C6H19ClFO4+ 4 209.095 -1.47
209.1321 C16H17+ 4 209.1325 -1.71
210.1015 C9H19ClO3+ 4 210.1017 -1.01
211.0731 C8H16ClO4+ 5 211.0732 -0.31
211.1109 C6H21ClFO4+ 4 211.1107 0.83
212.0806 C8H17ClO4+ 5 212.081 -1.93
212.1172 C9H21ClO3+ 4 212.1174 -0.78
213.0907 C8H18ClO4+ 4 213.0888 9.01
213.1266 C9H22ClO3+ 4 213.1252 6.71
214.1301 C8[13]CH22ClO3+ 1 214.1291 4.52
215.0864 C8H18[37]ClO4+ 1 215.0864 0.06
215.107 C14H15O2+ 4 215.1067 1.48
215.1371 C9H24ClO3+ 2 215.1408 -17.27
216.0935 C17H12+ 4 216.0934 0.56
217.1001 C8H19ClFO3+ 4 217.1001 -0.05
218.1057 C11H19ClO2+ 4 218.1068 -5
219.0551 C13H12ClO+ 3 219.0571 -9.17
219.0799 C7H17ClFO4+ 4 219.0794 2.15
219.1149 C11H20ClO2+ 4 219.1146 1.36
220.0881 C16H12O+ 4 220.0883 -0.66
220.1222 C11H21ClO2+ 4 220.1225 -1.22
221.0956 C16H13O+ 4 221.0961 -2.07
221.1329 C17H17+ 5 221.1325 1.8
222.1028 C7H20ClFO4+ 4 222.1029 -0.47
222.1354 C11H23ClO2+ 3 222.1381 -12.02
223.1108 C7H21ClFO4+ 4 223.1107 0.46
224.082 C6H18ClFO5+ 4 224.0821 -0.58
224.1173 C10H21ClO3+ 4 224.1174 -0.19
225.0888 C9H18ClO4+ 5 225.0888 -0.03
225.1259 C7H23ClFO4+ 4 225.1263 -1.83
226.0961 C9H19ClO4+ 5 226.0966 -2.53
226.1329 C10H23ClO3+ 4 226.133 -0.5
227.106 C6H21ClFO5+ 4 227.1056 1.74
227.1427 C16H19O+ 4 227.143 -1.4
228.11 C9H21ClO4+ 5 228.1123 -9.87
229.099 C12H18ClO2+ 4 229.099 0.08
230.1088 C18H14+ 4 230.109 -0.98
231.1158 C9H21ClFO3+ 4 231.1158 0.09
232.0862 C11H17ClO3+ 4 232.0861 0.68
232.1225 C12H21ClO2+ 4 232.1225 0.3
233.0711 C14H14ClO+ 3 233.0728 -6.99
233.0953 C8H19ClFO4+ 4 233.095 1.32
233.131 C9H23ClFO3+ 4 233.1314 -1.97
234.1034 C8H20ClFO4+ 4 234.1029 2.21
234.1392 C9H24ClFO3+ 4 234.1393 -0.13
235.1111 C8H21ClFO4+ 4 235.1107 1.91
235.1474 C9H25ClFO3+ 4 235.1471 1.52
236.1174 C11H21ClO3+ 4 236.1174 0.05
236.1535 C12H25ClO2+ 4 236.1538 -0.98
237.0662 C13H14ClO2+ 4 237.0677 -6.24
237.0877 C10H18ClO4+ 5 237.0888 -4.56
237.1276 C17H17O+ 4 237.1274 0.8
237.16 C12H26ClO2+ 4 237.1616 -6.68
238.0984 C16H14O2+ 4 238.0988 -1.79
238.1326 C11H23ClO3+ 4 238.133 -1.81
239.1054 C16H15O2+ 5 239.1067 -5.46
239.1422 C17H19O+ 4 239.143 -3.43
240.1101 C15[13]CH15O2+ 1 240.1106 -1.81
240.1462 C16[13]CH19O+ 1 240.1469 -2.95
241.1222 C16H17O2+ 4 241.1223 -0.63
241.1578 C8H27ClFO4+ 4 241.1576 0.57
242.1071 C13H19ClO2+ 4 242.1068 1.14
242.1273 C10H23ClO4+ 5 242.1279 -2.62
243.1166 C19H15+ 5 243.1168 -0.78
244.123 C10H22ClFO3+ 4 244.1236 -2.27
245.0972 C15H14FO2+ 4 245.0972 -0.32
245.1319 C10H23ClFO3+ 4 245.1314 2.12
246.1055 C15H15FO2+ 4 246.1051 1.76
246.1376 C13H23ClO2+ 4 246.1381 -2.11
247.0508 C14H12ClO2+ 4 247.052 -4.86
247.0891 C12H17ClFO2+ 3 247.0896 -1.86
247.1103 C9H21ClFO4+ 4 247.1107 -1.66
247.1465 C13H24ClO2+ 4 247.1459 2.3
248.1187 C9H22ClFO4+ 4 248.1185 0.89
249.0866 C11H18ClO4+ 5 249.0888 -9.02
249.1257 C18H17O+ 4 249.1274 -6.67
249.1629 C10H27ClFO3+ 4 249.1627 0.72
250.0972 C11H19ClO4+ 5 250.0966 2.08
250.1319 C17[13]CH17O+ 1 250.1313 2.53
250.1711 C19H22+ 4 250.1716 -2.02
251.1072 C17H15O2+ 4 251.1067 1.97
251.1427 C18H19O+ 4 251.143 -1.39
252.1481 C12H25ClO3+ 4 252.1487 -2.28
253.1228 C17H17O2+ 4 253.1223 2.03
253.1579 C18H21O+ 4 253.1587 -3.25
254.1626 C17[13]CH21O+ 1 254.1626 -0.15
257.0712 C16H14ClO+ 3 257.0728 -6.13
257.1327 C20H17+ 5 257.1325 0.67
258.1033 C10H20ClFO4+ 4 258.1029 1.5
258.139 C11H24ClFO3+ 4 258.1393 -0.83
259.1114 C19H15O+ 4 259.1117 -1.15
259.1477 C20H19+ 5 259.1481 -1.58
260.1194 C19H16O+ 4 260.1196 -0.71
260.1555 C20H20+ 5 260.156 -1.9
261.0705 C18H10FO+ 5 261.071 -2.07
261.127 C19H17O+ 4 261.1274 -1.42
261.1639 C20H21+ 5 261.1638 0.38
262.1343 C10H24ClFO4+ 4 262.1342 0.69
262.167 C19[13]CH21+ 1 262.1677 -2.75
263.1427 C19H19O+ 4 263.143 -1.27
264.1141 C18H16O2+ 5 264.1145 -1.41
264.1474 C18[13]CH19O+ 1 264.1469 1.57
265.1216 C9H23ClFO5+ 5 265.1213 1.2
265.1541 C17[13]C2H19O+ 1 265.1503 14.25
266.1636 C13H27ClO3+ 4 266.1643 -2.73
267.1382 C18H19O2+ 4 267.138 1.03
267.1732 C10H29ClFO4+ 4 267.1733 -0.5
268.1235 C12H22ClFO3+ 4 268.1236 -0.24
268.1408 C16H22ClF+ 5 268.1389 7.42
268.1784 C13H29ClO3+ 4 268.18 -5.82
269.134 C18H18FO+ 5 269.1336 1.38
271.0908 C20H12F+ 4 271.0918 -3.7
271.1126 C17H16FO2+ 4 271.1129 -1.01
271.1485 C21H19+ 5 271.1481 1.23
272.117 C14H21ClO3+ 4 272.1174 -1.43
273.1269 C20H17O+ 4 273.1274 -1.73
273.1623 C12H27ClFO3+ 4 273.1627 -1.42
274.1325 C14H23ClO3+ 4 274.133 -1.86
274.1682 C15H27ClO2+ 4 274.1694 -4.56
275.0836 C16H16ClO2+ 4 275.0833 0.99
275.1068 C19H15O2+ 4 275.1067 0.47
275.142 C11H25ClFO4+ 4 275.142 0.12
276.114 C19H16O2+ 5 276.1145 -1.75
276.1504 C20H20O+ 4 276.1509 -1.74
277.1228 C19H17O2+ 4 277.1223 1.76
277.158 C11H27ClFO4+ 4 277.1576 1.45
278.166 C11H28ClFO4+ 4 278.1655 1.75
279.1724 C14H28ClO3+ 4 279.1721 1.01
280.1387 C17H22ClF+ 3 280.1389 -0.65
280.1761 C13[13]CH28ClO3+ 1 280.1761 -0.01
281.1544 C13H26ClO4+ 4 281.1514 10.69
282.1558 C12[13]CH26ClO4+ 1 282.1553 1.89
283.1492 C13H26[37]ClO4+ 1 283.149 0.56
284.1511 C16H25ClO2+ 4 284.1538 -9.47
285.1047 C15H19ClFO2+ 3 285.1052 -1.91
285.1258 C12H23ClFO4+ 4 285.1263 -1.79
286.1351 C21H18O+ 4 286.1352 -0.53
287.1213 C15H21ClFO2+ 4 287.1209 1.69
287.1401 C15H24ClO3+ 4 287.1408 -2.66
288.1496 C21H20O+ 4 288.1509 -4.44
289.1227 C20H17O2+ 4 289.1223 1.27
289.1553 C20[13]CH20O+ 1 289.1548 1.88
290.1286 C11H24ClFO5+ 5 290.1291 -1.65
291.1369 C20H19O2+ 5 291.138 -3.76
291.1737 C12H29ClFO4+ 4 291.1733 1.46
292.1416 C19[13]CH19O2+ 1 292.1419 -0.77
292.1775 C11[13]CH29ClFO4+ 1 292.1772 1.04
294.1561 C18H24ClF+ 5 294.1545 5.36
295.0882 C19H16ClO+ 3 295.0884 -0.83
295.1296 C13H24ClO5+ 5 295.1307 -3.65
295.1678 C11H29ClFO5+ 5 295.1682 -1.26
296.1759 C18H26ClF+ 5 296.1702 19.51
297.1013 C19H18ClO+ 3 297.1041 -9.35
297.1786 C17[13]CH26ClF+ 1 297.1741 15.15
298.1698 C18H26[37]ClF+ 1 298.1678 6.87
299.0842 C15H17ClFO3+ 5 299.0845 -0.97
301.1584 C22H21O+ 4 301.1587 -0.9
302.1627 C21[13]CH21O+ 1 302.1626 0.39
303.1184 C21H16FO+ 5 303.118 1.42
303.1572 C18H23O4+ 5 303.1591 -6.06
303.1722 C16H28ClO3+ 4 303.1721 0.02
304.1443 C12H26ClFO5+ 5 304.1447 -1.43
305.1509 C15H26ClO4+ 5 305.1514 -1.54
306.1607 C21H22O2+ 5 306.1614 -2.45
307.1644 C20[13]CH22O2+ 1 307.1653 -2.99
308.097 C17H18ClFO2+ 4 308.0974 -1.23
309.1851 C21H25O2+ 5 309.1849 0.58
311.119 C20H20ClO+ 3 311.1197 -2.22
313.0978 C16H19ClFO3+ 4 313.1001 -7.5
313.1353 C20H22ClO+ 3 313.1354 -0.12
314.1381 C19[13]CH22ClO+ 1 314.1393 -3.6
315.1008 C16H19[37]ClFO3+ 1 315.0977 9.79
315.132 C20H22[37]ClO+ 1 315.133 -3.19
319.1689 C22H23O2+ 5 319.1693 -1.17
320.1732 C21[13]CH23O2+ 1 320.1732 0.19
322.1154 C24H15F+ 5 322.1152 0.38
323.1185 C21H20ClO+ 3 323.1197 -3.74
324.1737 C18H25FO4+ 3 324.1731 1.58
327.1502 C21H24ClO+ 3 327.151 -2.49
328.1534 C20[13]CH24ClO+ 1 328.1549 -4.58
329.1458 C21H24[37]ClO+ 1 329.1486 -8.61
337.1358 C19H23ClFO2+ 4 337.1365 -2.09
337.1794 C22H25O3+ 5 337.1798 -1.15
338.1406 C18[13]CH23ClFO2+ 1 338.1404 0.55
339.1345 C19H23[37]ClFO2+ 1 339.1341 1.15
340.1313 C20H20O5+ 4 340.1305 2.15
345.1602 C21H26ClO2+ 3 345.1616 -4.03
355.1457 C19H25ClFO3+ 4 355.1471 -3.8
356.1517 C18[13]CH25ClFO3+ 1 356.151 1.92
357.1418 C19H25[37]ClFO3+ 1 357.1447 -7.92
PK$NUM_PEAK: 343
PK$PEAK: m/z int. rel.int.
115.0544 1536 22
116.0614 480 7
117.0694 1420 20
119.0851 4488 65
120.0884 744 10
121.064 13988 204
121.1005 5592 81
122.0667 1188 17
122.1035 800 11
123.0814 580 8
127.0295 428 6
128.0614 3112 45
129.0089 412 6
129.0691 1412 20
130.0749 468 6
131.0475 816 11
131.0845 5480 80
132.0554 1568 22
132.0888 1004 14
133.0411 1724 25
133.0637 2412 35
133.1005 4980 72
134.0699 348 5
134.1044 660 9
135.0793 12048 176
136.0841 1268 18
137.0949 812 11
141.0439 376 5
141.0689 2796 40
142.0767 1156 16
143.0249 1388 20
143.0611 2108 30
143.0841 5784 84
144.0557 1796 26
144.0912 564 8
145.0403 664 9
145.0635 7276 106
145.1003 3524 51
146.0714 1032 15
146.1048 400 5
147.0796 53796 787
148.0832 6540 95
149.0948 3496 51
150.0989 356 5
151.0743 392 5
153.0444 532 7
153.0684 444 6
155.0596 1360 19
155.084 2888 42
156.055 492 7
156.0913 972 14
157.0418 772 11
157.0642 1204 17
157.077 1552 22
157.1004 3976 58
158.0713 3188 46
158.1051 600 8
159.0793 25532 373
160.0838 2856 41
161.0581 2672 39
161.0949 12456 182
162.0645 464 6
162.0977 2024 29
163.0741 2120 31
163.1078 464 6
165.0692 1312 19
166.0743 608 8
167.0608 7956 116
167.0845 1012 14
168.0628 980 14
168.0916 440 6
169.0409 920 13
169.0604 3436 50
169.1011 1416 20
170.0722 972 14
170.1061 1000 14
171.0562 8640 126
171.0793 32576 476
171.1164 2508 36
172.0604 1076 15
172.0835 5220 76
172.118 392 5
173.0523 2520 36
173.0948 20792 304
174.0993 2272 33
175.0743 1164 17
175.0907 1040 15
175.1119 2024 29
177.0897 1212 17
178.077 504 7
179.0643 408 5
179.0839 1432 20
180.0913 756 11
181.0636 592 8
181.0748 436 6
181.0996 1292 18
182.073 660 9
182.1077 432 6
183.0565 1924 28
183.0789 1928 28
183.1164 1444 21
184.0861 1428 20
184.1207 512 7
185.0711 10764 157
185.0948 19512 285
186.0751 1084 15
186.0989 2772 40
187.0739 16684 244
187.1111 2956 43
188.0767 2104 30
188.1179 536 7
189.0708 832 12
189.0904 1800 26
189.1283 456 6
190.0773 844 12
190.0941 376 5
191.0618 428 6
191.0845 1300 19
192.0915 620 9
193.041 384 5
193.0778 1488 21
193.101 1960 28
194.0778 428 6
194.1061 588 8
195.0566 1564 22
195.078 2332 34
195.1152 1948 28
196.0874 1788 26
196.1212 444 6
197.0563 576 8
197.0713 940 13
197.0953 6008 87
198.1019 3488 51
199.0742 2608 38
199.1113 4912 71
200.0789 388 5
200.1006 568 8
200.1138 832 12
201.0894 536 7
201.1263 392 5
202.0764 368 5
203.0853 620 9
203.1067 988 14
204.092 552 8
205.0747 424 6
205.1006 2476 36
206.1073 836 12
207.0557 344 5
207.0806 1028 15
207.1164 1560 22
208.0877 3424 50
208.1198 896 13
209.0717 624 9
209.0947 7176 105
209.1321 476 6
210.1015 3188 46
211.0731 1148 16
211.1109 7436 108
212.0806 464 6
212.1172 2916 42
213.0907 1184 17
213.1266 15708 229
214.1301 1984 29
215.0864 488 7
215.107 616 9
215.1371 372 5
216.0935 924 13
217.1001 988 14
218.1057 964 14
219.0551 476 6
219.0799 1124 16
219.1149 1352 19
220.0881 1072 15
220.1222 888 12
221.0956 10592 154
221.1329 896 13
222.1028 5672 83
222.1354 584 8
223.1108 15236 222
224.082 380 5
224.1173 4692 68
225.0888 568 8
225.1259 2628 38
226.0961 492 7
226.1329 1044 15
227.106 1264 18
227.1427 1552 22
228.11 428 6
229.099 784 11
230.1088 1924 28
231.1158 2676 39
232.0862 880 12
232.1225 952 13
233.0711 772 11
233.0953 1916 28
233.131 1032 15
234.1034 5352 78
234.1392 564 8
235.1111 8360 122
235.1474 2628 38
236.1174 3948 57
236.1535 1180 17
237.0662 400 5
237.0877 564 8
237.1276 5244 76
237.16 420 6
238.0984 388 5
238.1326 1840 26
239.1054 1664 24
239.1422 5136 75
240.1101 496 7
240.1462 1064 15
241.1222 1332 19
241.1578 1096 16
242.1071 668 9
242.1273 576 8
243.1166 1440 21
244.123 1752 25
245.0972 1044 15
245.1319 4276 62
246.1055 1832 26
246.1376 1952 28
247.0508 476 6
247.0891 1144 16
247.1103 2516 36
247.1465 1172 17
248.1187 13556 198
249.0866 804 11
249.1257 9940 145
249.1629 992 14
250.0972 368 5
250.1319 3056 44
250.1711 1760 25
251.1072 568 8
251.1427 3512 51
252.1481 2536 37
253.1228 600 8
253.1579 11296 165
254.1626 1876 27
257.0712 660 9
257.1327 820 11
258.1033 736 10
258.139 1080 15
259.1114 2604 38
259.1477 1508 22
260.1194 5316 77
260.1555 2064 30
261.0705 448 6
261.127 4640 67
261.1639 6212 90
262.1343 8920 130
262.167 1620 23
263.1427 68268 999
264.1141 1148 16
264.1474 14372 210
265.1216 480 7
265.1541 2252 32
266.1636 756 11
267.1382 1024 14
267.1732 1188 17
268.1235 852 12
268.1408 384 5
268.1784 368 5
269.134 692 10
271.0908 732 10
271.1126 1860 27
271.1485 560 8
272.117 2636 38
273.1269 7548 110
273.1623 1096 16
274.1325 3024 44
274.1682 636 9
275.0836 784 11
275.1068 440 6
275.142 3980 58
276.114 764 11
276.1504 6832 99
277.1228 2036 29
277.158 14832 217
278.166 50828 743
279.1724 22040 322
280.1387 600 8
280.1761 3672 53
281.1544 4104 60
282.1558 848 12
283.1492 1648 24
284.1511 480 7
285.1047 788 11
285.1258 428 6
286.1351 6356 93
287.1213 900 13
287.1401 3596 52
288.1496 9792 143
289.1227 812 11
289.1553 2296 33
290.1286 840 12
291.1369 5616 82
291.1737 9684 141
292.1416 1224 17
292.1775 1868 27
294.1561 348 5
295.0882 480 7
295.1296 488 7
295.1678 584 8
296.1759 2584 37
297.1013 372 5
297.1786 768 11
298.1698 424 6
299.0842 1052 15
301.1584 11572 169
302.1627 3800 55
303.1184 404 5
303.1572 420 6
303.1722 524 7
304.1443 1624 23
305.1509 1156 16
306.1607 8116 118
307.1644 1944 28
308.097 536 7
309.1851 776 11
311.119 528 7
313.0978 1020 14
313.1353 1684 24
314.1381 360 5
315.1008 376 5
315.132 636 9
319.1689 3148 46
320.1732 652 9
322.1154 572 8
323.1185 428 6
324.1737 712 10
327.1502 4292 62
328.1534 1272 18
329.1458 1272 18
337.1358 3444 50
337.1794 428 6
338.1406 656 9
339.1345 1204 17
340.1313 436 6
345.1602 652 9
355.1457 3440 50
356.1517 712 10
357.1418 1036 15
//
