MassBank Record: FFF00009



 Coprostanol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00009
RECORD_TITLE: Coprostanol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
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$NAME: Coprostanol CH$COMPOUND_CLASS: Natural Product; Sterol CH$FORMULA: C27H48O CH$EXACT_MASS: 388.37052 CH$SMILES: C(C)(C1)(C(C(C)CCCC(C)C)4)C(CC4)C(C2)C(C(C)(C3)C([H])(CC(C3)O)C2)C1 CH$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$LINK: CAS 360-68-9 CH$LINK: LIPIDBANK SST9060 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-WXXXDBQUSA-N
AC$INSTRUMENT: API2000, Applied AC$INSTRUMENT_TYPE: LC-APPI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820883 min
MS$FOCUSED_ION: BASE_PEAK 80.900002 MS$FOCUSED_ION: PRECURSOR_M/Z 371.466000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-05o1-9300000000-3b4323f6f4b9dab96673 PK$NUM_PEAK: 277 PK$PEAK: m/z int. rel.int. 39.100000 11103.000000 1 39.799999 1850.500000 1 41.199999 68468.500000 7 41.799999 3701.000000 1 43.043352 320136.500000 32 43.900002 1850.500000 1 51.049999 3701.000000 1 52.599998 3701.000000 1 53.220000 18505.000000 2 55.061322 1511858.500000 153 56.043749 29608.000000 3 57.115846 1202825.000000 122 58.300001 5551.500000 1 58.599998 1850.500000 1 58.799999 1850.500000 1 59.200001 1850.500000 1 60.900002 1850.500000 1 61.200001 1850.500000 1 64.099998 1850.500000 1 65.025000 14804.000000 1 67.087123 3247627.500000 329 69.062648 3606624.500000 365 71.060991 597711.500000 60 72.000000 1850.500000 1 72.500000 1850.500000 1 72.750000 3701.000000 1 73.049999 14804.000000 1 74.300003 3701.000000 1 74.800003 1850.500000 1 75.500000 1850.500000 1 75.900002 3701.000000 1 77.099999 88824.000000 9 79.024581 1656197.500000 168 81.074979 8667742.000000 877 82.016666 66618.000000 7 83.078534 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