MassBank Record: FFF00007



 Cholesterol; LC-APPI-QQ; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00007
RECORD_TITLE: Cholesterol; LC-APPI-QQ; MS
DATE: 2016.01.19 (2011.01.18, 2011.06.20)
AUTHORS: , Atsushi Yamamoto, PFOS.jp
LICENSE: CC BY-SA
COPYRIGHT: PFOS.jp
COMMENT: Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.

CH$NAME: Cholesterol CH$COMPOUND_CLASS: Natural Product; Sterol CH$FORMULA: C27H46O CH$EXACT_MASS: 386.35487 CH$SMILES: CC(C4)(C(CC(O)C4)=3)C(C2)C(CC3)C(C1)C(C)(C2)C(C(C)CCCC(C)C)C1 CH$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?/m0/s1 CH$LINK: CAS 57-88-5 CH$LINK: LIPIDBANK SST9061 CH$LINK: INCHIKEY HVYWMOMLDIMFJA-LBHVWCRMSA-N
AC$INSTRUMENT: API2000, Applied AC$INSTRUMENT_TYPE: LC-APPI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min
MS$FOCUSED_ION: BASE_PEAK 369.399994 MS$FOCUSED_ION: ION_TYPE [M-H2O+H]+
PK$SPLASH: splash10-014i-0039000000-058a172ad12a7eafcca6 PK$NUM_PEAK: 234 PK$PEAK: m/z int. rel.int. 201.164567 14812936.000000 22 202.106255 4294431.000000 6 203.150218 25125872.500000 37 204.136414 5974991.000000 9 205.172189 9420139.000000 14 206.113317 2478826.000000 4 207.144417 10992663.000000 16 208.142635 2892964.000000 4 209.162538 6977325.000000 10 210.188749 3214071.000000 5 211.149526 7286428.000000 11 212.177139 1824608.000000 3 213.155173 8585861.000000 13 214.179871 2787929.000000 4 215.196164 15101032.000000 22 216.222866 2952984.000000 4 217.224502 9633210.000000 14 218.119146 4114371.000000 6 219.182843 14989995.000000 22 220.153404 3922307.000000 6 221.152497 6911303.000000 10 222.127998 2202734.000000 3 223.146534 4762587.000000 7 224.147261 1533511.000000 2 225.189827 3127042.000000 5 226.203985 1204901.500000 2 227.213433 3418139.000000 5 228.231012 1809603.000000 3 229.202392 12419638.500000 18 230.219854 3499166.000000 5 231.172992 18417137.000000 27 232.204193 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