MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002982
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002982
RECORD_TITLE: 5ALPHA-ANDROST-16-EN-3-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 5ALPHA-ANDROST-16-EN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H28O
CH$EXACT_MASS: 272.21402
CH$SMILES: O=C(C4)CC([H])(C3)C(C)(C4)C([H])(C1)C([H])(C3)C([H])(C2)C(C)(C=C2)C1
CH$IUPAC: InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1
CH$LINK: INCHIKEY
HFVMLYAGWXSTQI-QYXZOKGRSA-N
CH$LINK: COMPTOX
DTXSID0040965
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-006y-9650000000-235317511425f131d1f8
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
39 8 80
41 21 210
53 10 100
55 1.5 15
67 17 170
69 8 80
77 17 170
79 0.4 4
80 10 100
81 20 200
91 23 230
92 0.07 1
93 30 300
94 45 450
95 29 290
105 0.15 2
107 30 300
108 13 130
109 7 70
119 0.07 1
121 7 70
123 7 70
124 17 170
133 0.11 1
135 12 120
145 8 80
147 35 350
148 0.17 2
149 36 360
161 13 130
239 7 70
257 0.8 8
258 17 170
272 99.99 999
273 20 200
//