MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003427
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003427
RECORD_TITLE: ANDROSTERONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: ANDROSTERONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H30O2
CH$EXACT_MASS: 290.22458
CH$SMILES: [H]C(O)(C4)CC([H])(C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(=O)C1
CH$IUPAC: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
CH$LINK: INCHIKEY
QGXBDMJGAMFCBF-HLUDHZFRSA-N
CH$LINK: COMPTOX
DTXSID3036525
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9770000000-a213ff930fa4c322834b
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
43 19 190
44 28.2 282
53 12.4 124
55 36.1 361
57 11.7 117
67 36.3 363
69 14.6 146
77 1.49 15
79 31.3 313
81 29.2 292
91 25.3 253
93 2.95 30
94 11.3 113
95 21 210
97 1.63 16
105 19 190
106 11 110
107 36.6 366
108 3.89 39
109 17.3 173
110 13.2 132
119 13.2 132
120 1.07 11
121 14.7 147
122 13.2 132
124 19.5 195
133 1.09 11
145 10 100
147 17.9 179
149 11.7 117
164 1.04 10
165 12.4 124
190 10.9 109
201 10 100
213 1.17 12
215 15.7 157
216 13.6 136
233 11.7 117
234 1.63 16
239 10.3 103
246 24.3 243
257 17.3 173
272 1.86 19
275 13.2 132
290 99.99 999
291 21.4 214
//