MassBank Record: FFF00006



 Cholesterol; 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: FFF00006
RECORD_TITLE: Cholesterol; 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$NAME: Cholesterol CH$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 MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min
MS$FOCUSED_ION: BASE_PEAK 369.399994 MS$FOCUSED_ION: PRECURSOR_M/Z 369.420000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-014i-0009000000-e11afbeb177db0bd0238 PK$NUM_PEAK: 250 PK$PEAK: m/z int. rel.int. 57.000000 1850.500000 1 57.299999 1850.500000 1 67.099998 1850.500000 1 69.099998 1850.500000 1 71.300003 1850.500000 1 79.500000 1850.500000 1 79.900002 1850.500000 1 80.400002 1850.500000 1 80.599998 3701.000000 1 81.025000 14804.000000 1 81.350002 7402.000000 1 81.699997 1850.500000 1 82.599998 1850.500000 1 82.900002 5551.500000 1 83.300003 1850.500000 1 84.300003 1850.500000 1 84.699997 1850.500000 1 85.000000 5551.500000 1 85.300003 1850.500000 1 91.099998 1850.500000 1 92.300003 1850.500000 1 93.000000 5551.500000 1 93.400002 3701.000000 1 94.199997 1850.500000 1 94.853847 24056.500000 1 95.800003 1850.500000 1 96.400002 1850.500000 1 97.099998 7402.000000 1 97.325003 7402.000000 1 98.900002 1850.500000 1 99.099998 1850.500000 1 99.400002 1850.500000 1 104.699997 1850.500000 1 104.900002 1850.500000 1 105.099998 5551.500000 1 106.999997 11103.000000 1 107.699997 1850.500000 1 108.450001 3701.000000 1 109.078570 25907.000000 1 110.199997 1850.500000 1 110.400002 1850.500000 1 110.925001 14804.000000 1 112.099998 1850.500000 1 112.500000 1850.500000 1 112.950001 3701.000000 1 113.199997 1850.500000 1 113.699997 1850.500000 1 116.599998 1850.500000 1 116.800003 1850.500000 1 119.000000 9252.500000 1 119.900002 1850.500000 1 120.099998 1850.500000 1 120.800003 12953.500000 1 121.138462 24056.500000 1 121.599998 1850.500000 1 122.400002 1850.500000 1 122.922223 33309.000000 1 123.300003 11103.000000 1 124.400002 1850.500000 1 124.649998 11103.000000 1 125.069231 24056.500000 1 125.500000 1850.500000 1 126.049999 3701.000000 1 126.599998 1850.500000 1 126.900002 1850.500000 1 127.099998 1850.500000 1 127.400002 5551.500000 1 130.899994 1850.500000 1 131.300003 1850.500000 1 132.666667 11103.000000 1 133.022224 16654.500000 1 133.300003 7402.000000 1 133.800003 1850.500000 1 134.000000 3701.000000 1 134.300003 1850.500000 1 135.045391 260920.500000 3 136.199997 1850.500000 1 136.674999 7402.000000 1 137.000000 25907.000000 1 138.699997 7402.000000 1 139.374996 7402.000000 1 143.100006 1850.500000 1 144.549999 7402.000000 1 145.000000 5551.500000 1 145.399994 11103.000000 1 145.800003 1850.500000 1 146.000000 5551.500000 1 147.121936 286827.500000 4 147.800003 5551.500000 1 148.250000 7402.000000 1 149.011363 162844.000000 2 150.944444 33309.000000 1 151.500000 5551.500000 1 152.500000 1850.500000 1 152.800003 3701.000000 1 153.100006 5551.500000 1 153.300003 1850.500000 1 153.500000 3701.000000 1 158.100006 1850.500000 1 158.550003 3701.000000 1 158.949997 7402.000000 1 159.300003 1850.500000 1 159.924995 7402.000000 1 161.081462 379352.500000 5 161.800003 1850.500000 1 162.100006 1850.500000 1 163.150001 59216.000000 1 164.199997 1850.500000 1 165.152633 70319.000000 1 166.800003 3701.000000 1 167.300003 1850.500000 1 170.800003 1850.500000 1 172.899994 5551.500000 1 173.199997 7402.000000 1 173.399994 3701.000000 1 173.600006 1850.500000 1 173.949997 3701.000000 1 174.399994 7402.000000 1 175.013253 153591.500000 2 176.100006 1850.500000 1 176.450001 7402.000000 1 176.899994 7402.000000 1 177.299999 14804.000000 1 177.899994 1850.500000 1 178.199997 1850.500000 1 178.399994 1850.500000 1 178.976923 24056.500000 1 179.285716 25907.000000 1 181.100001 5551.500000 1 181.399994 1850.500000 1 185.199997 1850.500000 1 186.000000 1850.500000 1 186.199997 1850.500000 1 187.258334 22206.000000 1 189.035137 136937.000000 2 191.020003 18505.000000 1 191.399994 11103.000000 1 191.800003 1850.500000 1 192.000000 1850.500000 1 193.250000 40711.000000 1 194.100006 1850.500000 1 195.399994 1850.500000 1 199.550003 3701.000000 1 201.207693 48113.000000 1 203.062500 222060.000000 3 204.100006 1850.500000 1 205.116666 44412.000000 1 207.166667 22206.000000 1 207.699997 1850.500000 1 213.100006 1850.500000 1 213.500000 1850.500000 1 213.699997 1850.500000 1 214.100001 5551.500000 1 214.500000 9252.500000 1 215.077142 194302.500000 3 216.100006 1850.500000 1 217.195652 85123.000000 1 218.250000 3701.000000 1 219.256452 114731.000000 2 221.100000 18505.000000 1 221.600006 9252.500000 1 228.399994 1850.500000 1 229.096553 107329.000000 1 230.100006 1850.500000 1 231.262501 14804.000000 1 231.500000 5551.500000 1 232.399994 1850.500000 1 233.201726 321987.000000 4 234.500000 1850.500000 1 234.838462 24056.500000 1 235.277778 33309.000000 1 240.899994 7402.000000 1 241.325001 7402.000000 1 241.600006 5551.500000 1 243.185937 473728.000000 6 245.254718 98076.500000 1 246.300003 1850.500000 1 246.500000 1850.500000 1 247.207352 251668.000000 3 248.100006 3701.000000 1 248.450001 7402.000000 1 248.899994 7402.000000 1 249.199997 3701.000000 1 249.600006 1850.500000 1 255.325001 7402.000000 1 255.899994 9252.500000 1 256.299994 9252.500000 1 257.287673 270173.000000 4 258.299988 1850.500000 1 258.500000 1850.500000 1 259.241316 309033.500000 4 261.254166 44412.000000 1 263.399994 1850.500000 1 269.399994 1850.500000 1 271.150005 29608.000000 1 272.000000 1850.500000 1 273.291302 212807.500000 3 275.000000 1850.500000 1 275.299988 9252.500000 1 276.600006 1850.500000 1 283.799988 1850.500000 1 284.600006 1850.500000 1 284.899994 31458.500000 1 285.400002 74020.000000 1 285.899994 1850.500000 1 286.299988 1850.500000 1 287.187500 310884.000000 4 287.637045 99927.000000 1 289.150009 3701.000000 1 298.000000 1850.500000 1 299.259998 55515.000000 1 299.633341 11103.000000 1 299.899994 1850.500000 1 301.250000 7402.000000 1 301.700012 1850.500000 1 303.899994 1850.500000 1 309.399994 1850.500000 1 311.200012 3701.000000 1 311.899994 1850.500000 1 313.276317 70319.000000 1 314.600006 1850.500000 1 325.600006 1850.500000 1 325.799988 1850.500000 1 326.100006 1850.500000 1 327.050003 3701.000000 1 327.349991 3701.000000 1 327.600006 1850.500000 1 328.799988 1850.500000 1 337.100006 1850.500000 1 339.200012 1850.500000 1 340.000000 1850.500000 1 340.399994 1850.500000 1 341.200012 3701.000000 1 341.600006 1850.500000 1 341.799988 1850.500000 1 351.100006 3701.000000 1 351.399994 1850.500000 1 351.600006 1850.500000 1 352.000000 1850.500000 1 354.424995 7402.000000 1 364.799988 3701.000000 1 365.399994 1850.500000 1 365.700012 1850.500000 1 366.200012 3701.000000 1 366.550003 3701.000000 1 369.368716 76270208.000000 999 371.100006 5551.500000 1 371.349991 3701.000000 1 371.600006 1850.500000 1 394.600006 1850.500000 1 //

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