MassBank Record: FFF00014



 Coprostanol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00014
RECORD_TITLE: Coprostanol; LC-APPI-QQ; MS2; CE:10 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 0.820833 min
MS$FOCUSED_ION: BASE_PEAK 371.299988 MS$FOCUSED_ION: PRECURSOR_M/Z 371.466000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-00di-0009000000-11496acb3d63bcc4cd9f PK$NUM_PEAK: 184 PK$PEAK: m/z int. rel.int. 67.000000 1850.500000 1 70.900002 3701.000000 1 71.199997 1850.500000 1 72.900002 1850.500000 1 80.875002 7402.000000 1 81.149998 7402.000000 1 82.699997 1850.500000 1 82.900002 1850.500000 1 83.199997 1850.500000 1 93.850002 3701.000000 1 95.046667 55515.000000 2 96.500000 1850.500000 1 97.033334 33309.000000 1 105.900002 1850.500000 1 106.649998 3701.000000 1 106.900002 3701.000000 1 108.000000 1850.500000 1 108.941668 44412.000000 2 109.300003 14804.000000 1 109.800003 1850.500000 1 110.957144 12953.500000 1 111.277779 16654.500000 1 113.000000 5551.500000 1 119.599998 1850.500000 1 120.500000 1850.500000 1 120.966667 11103.000000 1 121.375002 7402.000000 1 122.000000 1850.500000 1 122.199997 1850.500000 1 122.450001 14804.000000 1 122.800003 9252.500000 1 123.144442 16654.500000 1 125.066666 11103.000000 1 125.316669 11103.000000 1 127.099998 1850.500000 1 127.300003 1850.500000 1 128.699997 1850.500000 1 129.300003 1850.500000 1 133.899994 3701.000000 1 134.399994 1850.500000 1 135.037502 59216.000000 2 135.699997 1850.500000 1 135.899994 1850.500000 1 136.500000 1850.500000 1 137.110002 37010.000000 1 138.600006 1850.500000 1 139.050003 3701.000000 1 139.300003 1850.500000 1 140.800003 1850.500000 1 146.799998 5551.500000 1 148.399994 1850.500000 1 149.114287 77721.000000 3 150.891661 22206.000000 1 151.250000 33309.000000 1 152.000000 1850.500000 1 153.100006 1850.500000 1 153.500000 1850.500000 1 161.000000 5551.500000 1 161.300003 3701.000000 1 162.399994 1850.500000 1 163.026087 85123.000000 3 165.239998 37010.000000 1 167.000000 9252.500000 1 174.300003 1850.500000 1 174.500000 3701.000000 1 175.075005 7402.000000 1 175.325001 7402.000000 1 176.199997 1850.500000 1 177.088000 92525.000000 3 178.399994 1850.500000 1 179.291304 42561.500000 2 181.133336 11103.000000 1 181.699997 1850.500000 1 189.116671 22206.000000 1 191.157894 70319.000000 3 192.000000 1850.500000 1 193.318182 40711.000000 2 194.199997 1850.500000 1 195.199997 1850.500000 1 201.399994 1850.500000 1 203.056252 59216.000000 2 203.500000 12953.500000 1 203.699997 1850.500000 1 204.936361 40711.000000 2 205.288884 33309.000000 1 206.100006 1850.500000 1 207.173338 55515.000000 2 214.600006 1850.500000 1 215.000000 1850.500000 1 215.250000 7402.000000 1 215.899999 16654.500000 1 216.300003 5551.500000 1 217.182353 62917.000000 2 218.199997 1850.500000 1 219.129630 49963.500000 2 221.139999 27757.500000 1 221.444441 33309.000000 1 223.300003 1850.500000 1 230.500000 3701.000000 1 231.328571 51814.000000 2 231.899994 1850.500000 1 232.449997 3701.000000 1 233.208333 44412.000000 2 234.500000 1850.500000 1 234.800003 9252.500000 1 235.266666 33309.000000 1 235.600006 5551.500000 1 241.100006 1850.500000 1 241.349998 3701.000000 1 241.600006 1850.500000 1 243.300003 1850.500000 1 243.899994 1850.500000 1 244.500000 1850.500000 1 245.168888 83272.500000 3 245.800003 1850.500000 1 246.600006 3701.000000 1 247.231818 81422.000000 3 249.500000 5551.500000 1 249.800003 1850.500000 1 257.399994 3701.000000 1 257.650009 3701.000000 1 258.299988 1850.500000 1 259.279999 55515.000000 2 259.700012 5551.500000 1 261.321051 70319.000000 3 262.799988 1850.500000 1 263.000000 1850.500000 1 263.200012 3701.000000 1 263.399994 3701.000000 1 273.274994 14804.000000 1 273.500000 9252.500000 1 274.449997 3701.000000 1 275.381248 59216.000000 2 277.200012 1850.500000 1 278.000000 1850.500000 1 279.000000 1850.500000 1 279.200012 1850.500000 1 285.100006 1850.500000 1 286.000000 1850.500000 1 286.924995 7402.000000 1 287.339990 18505.000000 1 289.291667 44412.000000 2 289.899994 1850.500000 1 291.299988 1850.500000 1 293.000000 1850.500000 1 297.100006 1850.500000 1 300.200012 1850.500000 1 301.163644 20355.500000 1 301.600006 1850.500000 1 302.500000 1850.500000 1 302.899994 1850.500000 1 303.399994 3701.000000 1 303.750000 3701.000000 1 314.200012 1850.500000 1 314.600006 1850.500000 1 315.000000 9252.500000 1 315.200012 22206.000000 1 315.600006 9252.500000 1 317.000000 1850.500000 1 328.200012 1850.500000 1 329.299988 1850.500000 1 329.600006 1850.500000 1 330.000000 1850.500000 1 338.200012 1850.500000 1 343.600006 1850.500000 1 353.600006 5551.500000 1 353.799988 1850.500000 1 355.000000 3701.000000 1 355.349991 3701.000000 1 355.799988 1850.500000 1 356.100006 1850.500000 1 356.399994 12953.500000 1 359.100006 1850.500000 1 366.500000 1850.500000 1 367.600006 1850.500000 1 368.100006 1850.500000 1 368.299988 1850.500000 1 368.500000 1850.500000 1 368.949997 3701.000000 1 369.399994 1850.500000 1 369.700012 7402.000000 1 371.414638 26774884.500000 999 372.525002 7402.000000 1 372.899994 1850.500000 1 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)