MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003426
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003426
RECORD_TITLE: CHOLESTANOL; 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$NAME: CHOLESTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C27H48O
CH$EXACT_MASS: 388.37052
CH$SMILES: [H]C(C)(CCCC(C)C)C(C1(C)4)([H])CCC1(C(C([H])2CC4)([H])CCC([H])(C3)C2(C)CCC3([H])O)[H]
CH$IUPAC: InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
CH$LINK: INCHIKEY
QYIXCDOBOSTCEI-QCYZZNICSA-N
CH$LINK: COMPTOX
DTXSID40883258
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$SPLASH: splash10-001c-9685000000-f1bd7d21900c66c26e86
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
43 29.6 296
44 36.8 368
55 32.1 321
57 22.8 228
67 24.9 249
69 28.3 283
71 10 100
81 2.91 29
83 12.2 122
91 12 120
93 17.2 172
95 2.55 26
105 10.5 105
107 21.5 215
108 20.7 207
109 1.66 17
121 15.6 156
122 11.1 111
123 11.7 117
149 2.47 25
165 17.2 172
189 18.5 185
190 27.2 272
204 1.53 15
215 32.5 325
216 17.5 175
217 17.2 172
220 2.43 24
233 47.6 476
234 79.2 792
235 13.2 132
373 2.17 22
388 99.99 999
389 30.2 302
//