MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003431
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003431
RECORD_TITLE: CHOLESTEROL; 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$NAME: CHOLESTEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C27H46O
CH$EXACT_MASS: 386.35487
CH$SMILES: C(C2([H])3)([H])(C(C)(C4)C(CC(C4)([H])O)=CC3)CCC(C2([H])1)(C)C([H])(CC1)C(CCCC(C)C)([H])C
CH$IUPAC: InChI=1S/C27H46O/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/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
CH$LINK: INCHIKEY
HVYWMOMLDIMFJA-DPAQBDIFSA-N
CH$LINK: COMPTOX
DTXSID3022401
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$SPLASH: splash10-000l-9527000000-5529a262047f5369c9c1
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
43 37.4 374
44 47.2 472
55 37.7 377
57 28.4 284
67 22.8 228
69 23.7 237
71 13.1 131
79 2.15 22
81 33 330
83 14.2 142
91 19.8 198
93 2.37 24
95 31.2 312
97 10 100
105 22 220
107 2.84 28
108 14.2 142
109 18 180
119 16.2 162
120 1.11 11
121 16.9 169
131 10.4 104
133 14.5 145
135 1.4 14
145 18 180
147 15.1 151
149 15.3 153
159 1.31 13
161 15.3 153
163 11.4 114
213 13.3 133
215 1.45 15
231 11.1 111
233 17.5 175
234 13.6 136
255 1.27 13
273 13.1 131
275 24.6 246
301 25 250
353 1.64 16
368 28.1 281
371 19.8 198
373 10.9 109
386 99.99 999
387 29.7 297
388 37.7 377
389 10.5 105
//