MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003429
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003429
RECORD_TITLE: TESTOSTERONE; 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$NAME: TESTOSTERONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H28O2
CH$EXACT_MASS: 288.20893
CH$SMILES: O=C(C4)C=C(C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(O)C1
CH$IUPAC: InChI=1S/C19H28O2/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/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
CH$LINK: INCHIKEY
MUMGGOZAMZWBJJ-DYKIIFRCSA-N
CH$LINK: COMPTOX
DTXSID8022371
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$SPLASH: splash10-0597-7920000000-dde7fba02fcbcec2d665
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
41 41.4 414
43 17.4 174
53 15.1 151
55 27.5 275
67 24.6 246
77 23.3 233
79 35 350
81 1.87 19
91 36.1 361
93 25.5 255
94 10.3 103
95 1.88 19
105 25.5 255
107 23.1 231
109 21.4 214
119 1.51 15
121 16.1 161
122 11.1 111
123 19.2 192
124 99.99 999
125 10.1 101
131 12.9 129
133 14.2 142
134 1.05 11
146 11.6 116
147 32.2 322
148 11.6 116
165 1.11 11
203 17.7 177
228 12.7 127
246 36.8 368
288 7.2 72
289 15.9 159
//