ACCESSION: MSBNK-Athens_Univ-AU280803
RECORD_TITLE: Drospirenone; 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 2808
CH$NAME: Drospirenone
CH$NAME: (1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5`-oxolane]-2`,7-dione
CH$COMPOUND_CLASS: N/A; Environmental Standard
CH$FORMULA: C24H30O3
CH$EXACT_MASS: 366.2194948
CH$SMILES: [H][C@@]12[C@@H]3C[C@@H]3[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H]2C[C@H]2C2=CC(=O)CC[C@]12C
CH$IUPAC: InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1
CH$LINK: CAS
67392-87-4
CH$LINK: CHEBI
50838
CH$LINK: KEGG
D03917
CH$LINK: PUBCHEM
CID:68873
CH$LINK: INCHIKEY
METQSPRSQINEEU-HXCATZOESA-N
CH$LINK: CHEMSPIDER
62105
CH$LINK: COMPTOX
DTXSID7046465
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 9.543 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$FOCUSED_ION: BASE_PEAK 367.2273
MS$FOCUSED_ION: PRECURSOR_M/Z 367.2268
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: splash10-00r2-0941000000-f8f0b0e0ab5fe85886a2
PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
115.0537 C9H7+ 1 115.0542 -4.93
116.0605 C9H8+ 1 116.0621 -12.96
117.0694 C9H9+ 1 117.0699 -4.47
118.0726 C8[13]CH9+ 1 118.0738 -10.32
119.0849 C9H11+ 1 119.0855 -5.61
120.0883 C8[13]CH11+ 1 120.0894 -9.18
121.064 C8H9O+ 1 121.0648 -6.27
121.1007 C9H13+ 1 121.1012 -4.08
122.0669 C7[13]CH9O+ 1 122.0687 -14.77
122.1037 C8[13]CH13+ 1 122.1051 -11.02
123.0794 C8H11O+ 1 123.0804 -8.36
124.0832 C7[13]CH11O+ 1 124.0843 -9
125.0587 C7H9O2+ 1 125.0597 -8.08
125.097 C8H13O+ 1 125.0961 7.57
127.0537 C10H7+ 1 127.0542 -3.83
127.0741 C7H11O2+ 1 127.0754 -9.68
128.0614 C10H8+ 1 128.0621 -5.34
129.0688 C10H9+ 1 129.0699 -8.61
131.0848 C10H11+ 1 131.0855 -5.31
132.0885 C9[13]CH11+ 1 132.0894 -7.39
133.0634 C9H9O+ 1 133.0648 -10.57
133.1003 C10H13+ 1 133.1012 -6.58
134.0681 C8[13]CH9O+ 1 134.0687 -4.41
134.1034 C9[13]CH13+ 1 134.1051 -12.7
135.0795 C9H11O+ 1 135.0804 -6.6
135.1155 C10H15+ 1 135.1168 -9.73
136.084 C8[13]CH11O+ 1 136.0843 -2.45
136.1197 C9[13]CH15+ 1 136.1207 -7.87
137.0582 C8H9O2+ 1 137.0597 -10.87
137.0951 C9H13O+ 1 137.0961 -7.5
139.0736 C8H11O2+ 1 139.0754 -12.69
141.0688 C11H9+ 1 141.0699 -7.29
141.0904 C8H13O2+ 1 141.091 -4.62
142.0759 C11H10+ 1 142.0777 -12.35
143.0846 C11H11+ 1 143.0855 -6.54
144.0892 C10[13]CH11+ 1 144.0894 -1.5
145.0632 C10H9O+ 1 145.0648 -11.19
145.1002 C11H13+ 1 145.1012 -6.67
146.0716 C9[13]CH9O+ 1 146.0687 19.98
146.1033 C10[13]CH13+ 1 146.1051 -11.97
147.0792 C10H11O+ 1 147.0804 -8.26
147.1156 C11H15+ 1 147.1168 -8.18
148.0832 C9[13]CH11O+ 1 148.0843 -7.72
148.1186 C10[13]CH15+ 1 148.1207 -14.08
149.0951 C10H13O+ 1 149.0961 -6.82
150.0979 C9[13]CH13O+ 1 150.1 -14.13
151.0743 C9H11O2+ 1 151.0754 -6.91
151.1095 C10H15O+ 1 151.1117 -14.58
152.0767 C8[13]CH11O2+ 1 152.0793 -16.63
153.0699 C12H9+ 1 153.0699 0.47
153.0899 C9H13O2+ 1 153.091 -7.24
154.0762 C12H10+ 1 154.0777 -10
154.0929 C8[13]CH13O2+ 1 154.0949 -12.79
155.0845 C12H11+ 1 155.0855 -6.93
156.0911 C12H12+ 1 156.0934 -14.14
157.1001 C12H13+ 1 157.1012 -6.73
158.0702 C11H10O+ 1 158.0726 -15.21
158.1039 C11[13]CH13+ 1 158.1051 -7.5
159.0795 C11H11O+ 1 159.0804 -6.08
159.1157 C12H15+ 1 159.1168 -7.16
160.0838 C10[13]CH11O+ 1 160.0843 -3.68
160.1193 C11[13]CH15+ 1 160.1207 -9.03
161.095 C11H13O+ 1 161.0961 -6.53
161.1314 C12H17+ 1 161.1325 -6.99
162.0985 C10[13]CH13O+ 1 162.1 -8.93
162.134 C11[13]CH17+ 1 162.1364 -14.71
163.0744 C10H11O2+ 1 163.0754 -5.72
163.1105 C11H15O+ 1 163.1117 -7.36
164.1138 C10[13]CH15O+ 1 164.1156 -10.98
165.0693 C13H9+ 1 165.0699 -3.69
165.0895 C10H13O2+ 1 165.091 -8.94
166.0759 C13H10+ 1 166.0777 -10.86
166.0945 C9[13]CH13O2+ 1 166.0949 -2.59
167.0845 C13H11+ 1 167.0855 -5.96
167.105 C10H15O2+ 1 167.1067 -9.93
168.0911 C13H12+ 1 168.0934 -13.63
169.1003 C13H13+ 1 169.1012 -4.98
170.1042 C12[13]CH13+ 1 170.1051 -5.31
171.0795 C12H11O+ 1 171.0804 -5.54
171.1157 C13H15+ 1 171.1168 -6.36
172.1192 C12[13]CH15+ 1 172.1207 -8.93
173.0951 C12H13O+ 1 173.0961 -5.75
173.1314 C13H17+ 1 173.1325 -6.19
174.0989 C11[13]CH13O+ 1 174.1 -6.5
174.1354 C12[13]CH17+ 1 174.1364 -5.42
175.0752 C11H11O2+ 1 175.0754 -0.98
175.1105 C12H15O+ 1 175.1117 -6.99
175.1467 C13H19+ 1 175.1481 -8.17
176.1142 C11[13]CH15O+ 1 176.1156 -8.1
177.0899 C11H13O2+ 1 177.091 -6.46
177.1269 C12H17O+ 1 177.1274 -2.94
178.0764 C14H10+ 1 178.0777 -7.44
178.0935 C10[13]CH13O2+ 1 178.0949 -8.18
178.1294 C11[13]CH17O+ 1 178.1313 -10.64
179.0848 C14H11+ 1 179.0855 -4.06
179.1056 C11H15O2+ 1 179.1067 -5.84
180.0906 C14H12+ 1 180.0934 -15.09
180.1108 C10[13]CH15O2+ 1 180.1106 1.35
181.0997 C14H13+ 1 181.1012 -8.1
182.1068 C13[13]CH13+ 1 182.1051 9.46
183.0787 C13H11O+ 1 183.0804 -9.31
183.1158 C14H15+ 1 183.1168 -5.74
184.0874 C13H12O+ 1 184.0883 -4.87
184.1202 C13[13]CH15+ 1 184.1207 -2.74
185.0947 C13H13O+ 1 185.0961 -7.34
185.1314 C14H17+ 1 185.1325 -5.68
186.099 C12[13]CH13O+ 1 186.1 -5.21
186.1345 C13[13]CH17+ 1 186.1364 -10
187.1104 C13H15O+ 1 187.1117 -7.25
187.1463 C14H19+ 1 187.1481 -9.84
188.1144 C12[13]CH15O+ 1 188.1156 -6.52
188.15 C13[13]CH19+ 1 188.152 -10.59
189.0895 C12H13O2+ 1 189.091 -8.01
189.1263 C13H17O+ 1 189.1274 -5.64
190.0955 C12H14O2+ 1 190.0988 -17.36
190.1315 C12[13]CH17O+ 1 190.1313 1.2
191.0851 C15H11+ 1 191.0855 -2.24
191.1057 C12H15O2+ 1 191.1067 -5.01
191.1411 C13H19O+ 1 191.143 -10.35
192.0917 C15H12+ 1 192.0934 -8.86
192.1086 C11[13]CH15O2+ 1 192.1106 -10.27
193.1005 C15H13+ 1 193.1012 -3.48
193.1206 C12H17O2+ 1 193.1223 -8.67
194.1065 C14[13]CH13+ 1 194.1051 7.44
195.1158 C15H15+ 1 195.1168 -5.26
196.0879 C14H12O+ 1 196.0883 -2.04
196.1206 C14[13]CH15+ 1 196.1207 -0.71
197.0944 C14H13O+ 1 197.0961 -8.8
197.1316 C15H17+ 1 197.1325 -4.46
198.1021 C14H14O+ 1 198.1039 -9.14
198.1356 C14[13]CH17+ 1 198.1364 -3.73
199.1105 C14H15O+ 1 199.1117 -6.21
199.1469 C15H19+ 1 199.1481 -6.14
200.115 C13[13]CH15O+ 1 200.1156 -3.14
200.1518 C14[13]CH19+ 1 200.152 -1.19
201.0899 C13H13O2+ 1 201.091 -5.36
201.1265 C14H17O+ 1 201.1274 -4.33
201.1646 C15H21+ 1 201.1638 3.92
202.1305 C13[13]CH17O+ 1 202.1313 -3.86
203.1051 C13H15O2+ 1 203.1067 -7.81
203.1426 C14H19O+ 1 203.143 -2.28
204.1109 C12[13]CH15O2+ 1 204.1106 1.9
204.1454 C13[13]CH19O+ 1 204.1469 -7.7
205.0988 C16H13+ 1 205.1012 -11.48
205.1214 C13H17O2+ 1 205.1223 -4.38
206.1088 C16H14+ 1 206.109 -0.94
207.1155 C16H15+ 1 207.1168 -6.22
208.1207 C15[13]CH15+ 1 208.1207 -0.39
209.0947 C15H13O+ 1 209.0961 -6.87
209.1312 C16H17+ 1 209.1325 -6.04
210.1358 C15[13]CH17+ 1 210.1364 -2.6
211.1104 C15H15O+ 1 211.1117 -6.44
211.1474 C16H19+ 1 211.1481 -3.23
212.1147 C14[13]CH15O+ 1 212.1156 -4.63
212.1525 C15[13]CH19+ 1 212.152 2.09
213.1263 C15H17O+ 1 213.1274 -5.14
213.162 C16H21+ 1 213.1638 -8.43
214.1309 C14[13]CH17O+ 1 214.1313 -2.02
214.1685 C15[13]CH21+ 1 214.1677 3.61
215.106 C14H15O2+ 1 215.1067 -2.98
215.1418 C15H19O+ 1 215.143 -5.63
216.1108 C14H16O2+ 1 216.1145 -16.89
216.1467 C14[13]CH19O+ 1 216.1469 -1.31
217.0978 C17H13+ 1 217.1012 -15.75
217.1212 C14H17O2+ 1 217.1223 -5.22
218.1249 C13[13]CH17O2+ 1 218.1262 -6
219.1159 C17H15+ 1 219.1168 -4.31
219.1371 C14H19O2+ 1 219.138 -3.91
220.1212 C17H16+ 1 220.1247 -15.63
220.1404 C13[13]CH19O2+ 1 220.1419 -6.6
221.1317 C17H17+ 1 221.1325 -3.31
222.1368 C16[13]CH17+ 1 222.1364 1.87
223.1118 C16H15O+ 1 223.1117 0.24
223.1473 C17H19+ 1 223.1481 -3.79
224.1153 C15[13]CH15O+ 1 224.1156 -1.69
224.1513 C16[13]CH19+ 1 224.152 -3.26
225.1272 C16H17O+ 1 225.1274 -0.93
225.1629 C17H21+ 1 225.1638 -4.05
226.1319 C15[13]CH17O+ 1 226.1313 2.65
226.1677 C16[13]CH21+ 1 226.1677 -0.03
227.1055 C15H15O2+ 1 227.1067 -5.24
227.142 C16H19O+ 1 227.143 -4.64
227.1778 C17H23+ 1 227.1794 -7.09
228.1101 C15H16O2+ 1 228.1145 -19.28
228.147 C15[13]CH19O+ 1 228.1469 0.12
229.1213 C15H17O2+ 1 229.1223 -4.29
229.1572 C16H21O+ 1 229.1587 -6.7
230.1278 C15H18O2+ 1 230.1301 -10.01
230.1605 C15[13]CH21O+ 1 230.1626 -8.89
231.1146 C18H15+ 1 231.1168 -9.78
231.1371 C15H19O2+ 1 231.138 -3.53
232.124 C18H16+ 1 232.1247 -2.88
232.1416 C14[13]CH19O2+ 1 232.1419 -1.05
233.1335 C18H17+ 1 233.1325 4.33
233.1504 C15H21O2+ 1 233.1536 -13.7
234.1366 C18H18+ 1 234.1403 -15.91
235.1111 C17H15O+ 1 235.1117 -2.61
235.1472 C18H19+ 1 235.1481 -4
236.1188 C16[13]CH15O+ 1 236.1156 13.37
236.1526 C17[13]CH19+ 1 236.152 2.56
237.127 C17H17O+ 1 237.1274 -1.78
237.1623 C18H21+ 1 237.1638 -6.02
238.1318 C16[13]CH17O+ 1 238.1313 2.11
238.1691 C18H22+ 1 238.1716 -10.45
239.1426 C17H19O+ 1 239.143 -1.97
239.1792 C18H23+ 1 239.1794 -1.09
240.1477 C16[13]CH19O+ 1 240.1469 2.95
241.1222 C16H17O2+ 1 241.1223 -0.33
241.158 C17H21O+ 1 241.1587 -2.9
241.1898 C18H25+ 1 241.1951 -21.81
242.1626 C16[13]CH21O+ 1 242.1626 0.18
243.1367 C16H19O2+ 1 243.138 -5.32
243.1728 C17H23O+ 1 243.1743 -6.44
244.1433 C16H20O2+ 1 244.1458 -10.33
244.1784 C16[13]CH23O+ 1 244.1782 0.53
245.1323 C19H17+ 1 245.1325 -0.76
245.1537 C16H21O2+ 1 245.1536 0.54
246.1378 C19H18+ 1 246.1403 -10.34
246.1551 C15[13]CH21O2+ 1 246.1575 -9.81
247.1113 C18H15O+ 1 247.1117 -1.68
247.1479 C19H19+ 1 247.1481 -0.88
248.1224 C18H16O+ 1 248.1196 11.33
248.1511 C18[13]CH19+ 1 248.152 -3.79
249.1278 C18H17O+ 1 249.1274 1.71
249.1627 C19H21+ 1 249.1638 -4.27
250.1314 C18H18O+ 1 250.1352 -15.27
250.1692 C18[13]CH21+ 1 250.1677 6.13
251.1425 C18H19O+ 1 251.143 -2.35
251.179 C19H23+ 1 251.1794 -1.59
252.1483 C17[13]CH19O+ 1 252.1469 5.51
252.1829 C19H24+ 1 252.1873 -17.21
253.122 C17H17O2+ 1 253.1223 -1.07
253.158 C18H21O+ 1 253.1587 -2.54
254.1277 C17H18O2+ 1 254.1301 -9.64
254.1618 C17[13]CH21O+ 1 254.1626 -3.11
255.1375 C17H19O2+ 1 255.138 -1.88
255.1715 C18H23O+ 1 255.1743 -11.03
256.1233 C20H16+ 1 256.1247 -5.35
256.1423 C16[13]CH19O2+ 1 256.1419 1.86
256.1773 C17[13]CH23O+ 1 256.1782 -3.57
257.1315 C20H17+ 1 257.1325 -3.94
257.1532 C17H21O2+ 1 257.1536 -1.53
258.1581 C16[13]CH21O2+ 1 258.1575 2.19
259.1473 C20H19+ 1 259.1481 -3.07
259.1636 C17H23O2+ 1 259.1693 -21.88
259.1674 C17H23O2+ 1 259.1693 -7.09
260.1558 C20H20+ 1 260.156 -0.59
261.1281 C19H17O+ 1 261.1274 2.78
261.1631 C20H21+ 1 261.1638 -2.65
262.1711 C19[13]CH21+ 1 262.1677 13.05
263.1431 C19H19O+ 1 263.143 0.32
263.1798 C20H23+ 1 263.1794 1.39
264.1492 C19H20O+ 1 264.1509 -6.43
264.1841 C19[13]CH23+ 1 264.1833 2.89
265.123 C18H17O2+ 1 265.1223 2.73
265.1584 C19H21O+ 1 265.1587 -1.21
265.1936 C20H25+ 1 265.1951 -5.76
266.1628 C19H22O+ 1 266.1665 -13.86
266.1979 C20H26+ 1 266.2029 -18.94
267.1371 C18H19O2+ 1 267.138 -3.14
267.174 C19H23O+ 1 267.1743 -1.28
268.1412 C18H20O2+ 1 268.1458 -17.11
268.1771 C18[13]CH23O+ 1 268.1782 -4.19
269.1532 C18H21O2+ 1 269.1536 -1.41
269.1888 C19H25O+ 1 269.19 -4.53
270.155 C17[13]CH21O2+ 1 270.1575 -9.14
270.1905 C18[13]CH25O+ 1 270.1939 -12.73
271.1322 C17H19O3+ 1 271.1329 -2.31
271.1486 C21H19+ 1 271.1481 1.76
271.1684 C18H23O2+ 1 271.1693 -3.1
272.1396 C17H20O3+ 1 272.1407 -4.06
272.1678 C17[13]CH23O2+ 1 272.1732 -19.7
273.1605 C21H21+ 1 273.1638 -11.89
274.1695 C21H22+ 1 274.1716 -7.75
275.1433 C20H19O+ 1 275.143 0.84
275.1774 C21H23+ 1 275.1794 -7.43
276.1485 C19[13]CH19O+ 1 276.1469 5.81
276.1883 C21H24+ 1 276.1873 3.92
277.1579 C20H21O+ 1 277.1587 -2.9
277.195 C21H25+ 1 277.1951 -0.18
278.1647 C19[13]CH21O+ 1 278.1626 7.56
278.1974 C20[13]CH25+ 1 278.199 -5.72
279.1355 C19H19O2+ 1 279.138 -8.77
279.1743 C20H23O+ 1 279.1743 -0.12
279.2092 C21H27+ 1 279.2107 -5.57
280.1774 C19[13]CH23O+ 1 280.1782 -3.03
280.2116 C21H28+ 1 280.2186 -24.98
281.1533 C19H21O2+ 1 281.1536 -1.11
281.1875 C20H25O+ 1 281.19 -8.89
282.1561 C18[13]CH21O2+ 1 282.1575 -5.01
283.1692 C19H23O2+ 1 283.1693 -0.27
284.1711 C18[13]CH23O2+ 1 284.1732 -7.17
285.1604 C22H21+ 1 285.1638 -11.72
285.1845 C19H25O2+ 1 285.1849 -1.34
286.1548 C18H22O3+ 1 286.1563 -5.56
286.1861 C18[13]CH25O2+ 1 286.1888 -9.6
287.1794 C22H23+ 1 287.1794 -0.16
288.1848 C21[13]CH23+ 1 288.1833 5
289.1582 C21H21O+ 1 289.1587 -1.8
289.1946 C22H25+ 1 289.1951 -1.72
290.1634 C21H22O+ 1 290.1665 -10.83
290.1966 C21[13]CH25+ 1 290.199 -8.25
291.1738 C21H23O+ 1 291.1743 -1.76
292.1772 C21H24O+ 1 292.1822 -16.92
293.152 C20H21O2+ 1 293.1536 -5.35
293.1898 C21H25O+ 1 293.19 -0.66
293.223 C22H29+ 1 293.2264 -11.57
294.1605 C20H22O2+ 1 294.1614 -3.31
294.1944 C21H26O+ 1 294.1978 -11.63
295.1687 C20H23O2+ 1 295.1693 -2
295.2012 C21H27O+ 1 295.2056 -14.95
296.1726 C19[13]CH23O2+ 1 296.1732 -1.79
297.1486 C19H21O3+ 1 297.1485 0.12
297.1856 C20H25O2+ 1 297.1849 2.25
298.1745 C23H22+ 1 298.1716 9.76
298.1907 C19[13]CH25O2+ 1 298.1888 6.34
299.1657 C19H23O3+ 1 299.1642 5.21
300.1713 C19H24O3+ 1 300.172 -2.44
301.1785 C19H25O3+ 1 301.1798 -4.49
302.1653 C22H22O+ 1 302.1665 -3.89
303.1762 C22H23O+ 1 303.1743 6.06
303.2101 C23H27+ 1 303.2107 -2.1
304.1752 C21[13]CH23O+ 1 304.1782 -10.15
304.2175 C22[13]CH27+ 1 304.2146 9.42
305.1897 C22H25O+ 1 305.19 -0.8
306.1952 C21[13]CH25O+ 1 306.1939 4.19
307.1692 C21H23O2+ 1 307.1693 -0.24
307.2055 C22H27O+ 1 307.2056 -0.31
308.1752 C21H24O2+ 1 308.1771 -6.05
308.2089 C21[13]CH27O+ 1 308.2095 -2.19
309.1833 C21H25O2+ 1 309.1849 -5.1
309.2146 C22H29O+ 1 309.2213 -21.68
310.1922 C20[13]CH25O2+ 1 310.1888 10.99
311.1634 C20H23O3+ 1 311.1642 -2.34
311.2008 C21H27O2+ 1 311.2006 0.87
312.1726 C20H24O3+ 1 312.172 1.87
313.1956 C24H25+ 1 313.1951 1.78
314.1991 C23[13]CH25+ 1 314.199 0.29
316.1842 C23H24O+ 1 316.1822 6.3
320.1753 C22H24O2+ 1 320.1771 -5.53
321.1846 C22H25O2+ 1 321.1849 -0.8
321.2211 C23H29O+ 1 321.2213 -0.74
322.1874 C21[13]CH25O2+ 1 322.1888 -4.32
322.2236 C22[13]CH29O+ 1 322.2252 -4.88
323.2002 C22H27O2+ 1 323.2006 -1.19
323.2378 C23H31O+ 1 323.2369 2.6
324.2054 C21[13]CH27O2+ 1 324.2045 2.86
325.1807 C21H25O3+ 1 325.1798 2.66
325.2158 C22H29O2+ 1 325.2162 -1.25
326.1845 C21H26O3+ 1 326.1876 -9.55
326.2185 C21[13]CH29O2+ 1 326.2201 -4.93
327.1921 C21H27O3+ 1 327.1955 -10.32
331.2054 C24H27O+ 1 331.2056 -0.62
332.2096 C23[13]CH27O+ 1 332.2095 0.19
334.1919 C23H26O2+ 1 334.1927 -2.45
339.1926 C22H27O3+ 1 339.1955 -8.59
339.2313 C23H31O2+ 1 339.2319 -1.53
349.2163 C24H29O2+ 1 349.2162 0.33
350.2195 C23[13]CH29O2+ 1 350.2201 -1.79
351.2225 C22[13]C2H29O2+ 1 351.2235 -2.78
352.201 C23H28O3+ 1 352.2033 -6.45
367.2266 C24H31O3+ 1 367.2268 -0.52
368.2301 C23[13]CH31O3+ 1 368.2307 -1.52
369.2329 C22[13]C2H31O3+ 1 369.234 -3.17
PK$NUM_PEAK: 364
PK$PEAK: m/z int. rel.int.
115.0537 2788 38
116.0605 900 12
117.0694 7116 97
118.0726 860 11
119.0849 14880 203
120.0883 1860 25
121.064 8276 113
121.1007 3140 42
122.0669 1128 15
122.1037 508 6
123.0794 17608 240
124.0832 1528 20
125.0587 3236 44
125.097 408 5
127.0537 392 5
127.0741 844 11
128.0614 5748 78
129.0688 12644 172
131.0848 35512 485
132.0885 3500 47
133.0634 4160 56
133.1003 17392 237
134.0681 624 8
134.1034 1560 21
135.0795 31792 434
135.1155 4256 58
136.084 3224 44
136.1197 524 7
137.0582 924 12
137.0951 4768 65
139.0736 1072 14
141.0688 6972 95
141.0904 408 5
142.0759 3188 43
143.0846 37852 517
144.0892 4924 67
145.0632 3292 44
145.1002 33192 453
146.0716 436 5
146.1033 3560 48
147.0792 25140 343
147.1156 7816 106
148.0832 2812 38
148.1186 1008 13
149.0951 39088 534
150.0979 4484 61
151.0743 6056 82
151.1095 2324 31
152.0767 844 11
153.0699 1148 15
153.0899 9468 129
154.0762 1180 16
154.0929 904 12
155.0845 16628 227
156.0911 4968 67
157.1001 38792 530
158.0702 676 9
158.1039 5760 78
159.0795 30600 418
159.1157 30220 412
160.0838 4020 54
160.1193 4224 57
161.095 13676 186
161.1314 4888 66
162.0985 2088 28
162.134 608 8
163.0744 2216 30
163.1105 5824 79
164.1138 888 12
165.0693 1280 17
165.0895 9192 125
166.0759 644 8
166.0945 1296 17
167.0845 3968 54
167.105 1472 20
168.0911 1928 26
169.1003 24360 332
170.1042 3604 49
171.0795 4348 59
171.1157 59464 812
172.1192 8348 114
173.0951 17304 236
173.1314 11268 153
174.0989 2040 27
174.1354 1652 22
175.0752 1164 15
175.1105 12220 166
175.1467 816 11
176.1142 1616 22
177.0899 38760 529
177.1269 4128 56
178.0764 684 9
178.0935 4440 60
178.1294 632 8
179.0848 2864 39
179.1056 5312 72
180.0906 1824 24
180.1108 624 8
181.0997 11880 162
182.1068 2756 37
183.0787 1888 25
183.1158 23504 321
184.0874 632 8
184.1202 4260 58
185.0947 13104 179
185.1314 20944 286
186.099 1944 26
186.1345 3296 45
187.1104 12580 171
187.1463 2788 38
188.1144 2116 28
188.15 476 6
189.0895 2096 28
189.1263 9676 132
190.0955 1008 13
190.1315 1508 20
191.0851 716 9
191.1057 8020 109
191.1411 768 10
192.0917 736 10
192.1086 1076 14
193.1005 6276 85
193.1206 1456 19
194.1065 1320 18
195.1158 20760 283
196.0879 400 5
196.1206 4360 59
197.0944 5392 73
197.1316 38480 525
198.1021 1572 21
198.1356 6604 90
199.1105 14076 192
199.1469 5968 81
200.115 2008 27
200.1518 1156 15
201.0899 1876 25
201.1265 13308 181
201.1646 1112 15
202.1305 2220 30
203.1051 5748 78
203.1426 2544 34
204.1109 1156 15
204.1454 388 5
205.0988 1812 24
205.1214 4684 64
206.1088 1884 25
207.1155 6312 86
208.1207 1788 24
209.0947 1920 26
209.1312 11272 154
210.1358 2580 35
211.1104 8868 121
211.1474 12448 170
212.1147 1320 18
212.1525 2936 40
213.1263 14808 202
213.162 1852 25
214.1309 3328 45
214.1685 380 5
215.106 3896 53
215.1418 9380 128
216.1108 1244 16
216.1467 1624 22
217.0978 420 5
217.1212 6292 85
218.1249 1436 19
219.1159 3664 50
219.1371 15932 217
220.1212 2036 27
220.1404 2560 34
221.1317 14552 198
222.1368 3752 51
223.1118 2720 37
223.1473 8200 112
224.1153 796 10
224.1513 1812 24
225.1272 7936 108
225.1629 5484 74
226.1319 1156 15
226.1677 1348 18
227.1055 1412 19
227.142 8112 110
227.1778 1016 13
228.1101 468 6
228.147 1388 18
229.1213 4768 65
229.1572 2044 27
230.1278 1456 19
230.1605 544 7
231.1146 1272 17
231.1371 21352 291
232.124 784 10
232.1416 4740 64
233.1335 4804 65
233.1504 1456 19
234.1366 1892 25
235.1111 1480 20
235.1472 8200 112
236.1188 384 5
236.1526 2432 33
237.127 4684 64
237.1623 3616 49
238.1318 996 13
238.1691 1364 18
239.1426 20616 281
239.1792 1348 18
240.1477 4672 63
241.1222 2284 31
241.158 4036 55
241.1898 400 5
242.1626 800 10
243.1367 3584 48
243.1728 1832 25
244.1433 1028 14
244.1784 428 5
245.1323 1580 21
245.1537 3476 47
246.1378 824 11
246.1551 720 9
247.1113 536 7
247.1479 5192 70
248.1224 460 6
248.1511 1864 25
249.1278 1892 25
249.1627 5340 72
250.1314 696 9
250.1692 1504 20
251.1425 6748 92
251.179 3288 44
252.1483 1732 23
252.1829 1384 18
253.122 1228 16
253.158 9820 134
254.1277 520 7
254.1618 1916 26
255.1375 4104 56
255.1715 1740 23
256.1233 424 5
256.1423 972 13
256.1773 508 6
257.1315 1132 15
257.1532 20112 274
258.1581 5456 74
259.1473 1228 16
259.1636 1148 15
259.1674 1292 17
260.1558 1060 14
261.1281 856 11
261.1631 4056 55
262.1711 1284 17
263.1431 2496 34
263.1798 2012 27
264.1492 884 12
264.1841 420 5
265.123 436 5
265.1584 5500 75
265.1936 1472 20
266.1628 1884 25
266.1979 588 8
267.1371 2064 28
267.174 3808 52
268.1412 888 12
268.1771 836 11
269.1532 3732 50
269.1888 1328 18
270.155 668 9
270.1905 464 6
271.1322 372 5
271.1486 1008 13
271.1684 3068 41
272.1396 824 11
272.1678 636 8
273.1605 1508 20
274.1695 812 11
275.1433 2416 33
275.1774 1928 26
276.1485 676 9
276.1883 1468 20
277.1579 2252 30
277.195 1604 21
278.1647 604 8
278.1974 388 5
279.1355 1420 19
279.1743 4276 58
279.2092 928 12
280.1774 1168 15
280.2116 608 8
281.1533 4256 58
281.1875 464 6
282.1561 1276 17
283.1692 4628 63
284.1711 944 12
285.1604 908 12
285.1845 2088 28
286.1548 468 6
286.1861 588 8
287.1794 2548 34
288.1848 812 11
289.1582 1956 26
289.1946 6944 94
290.1634 908 12
290.1966 1872 25
291.1738 1624 22
292.1772 708 9
293.152 2444 33
293.1898 1952 26
293.223 384 5
294.1605 976 13
294.1944 1284 17
295.1687 11308 154
295.2012 716 9
296.1726 2436 33
297.1486 532 7
297.1856 1176 16
298.1745 756 10
298.1907 400 5
299.1657 1016 13
300.1713 592 8
301.1785 396 5
302.1653 408 5
303.1762 1392 19
303.2101 2092 28
304.1752 484 6
304.2175 596 8
305.1897 3712 50
306.1952 996 13
307.1692 2244 30
307.2055 12824 175
308.1752 1088 14
308.2089 2664 36
309.1833 3132 42
309.2146 608 8
310.1922 768 10
311.1634 952 13
311.2008 1496 20
312.1726 1232 16
313.1956 2428 33
314.1991 756 10
316.1842 540 7
320.1753 480 6
321.1846 1956 26
321.2211 5012 68
322.1874 460 6
322.2236 2016 27
323.2002 2188 29
323.2378 436 5
324.2054 656 8
325.1807 980 13
325.2158 3596 49
326.1845 760 10
326.2185 960 13
327.1921 372 5
331.2054 7732 105
332.2096 1784 24
334.1919 636 8
339.1926 672 9
339.2313 1236 16
349.2163 22004 300
350.2195 5932 81
351.2225 628 8
352.201 612 8
367.2266 73112 999
368.2301 17820 243
369.2329 2968 40
//
