MassBank Record: JP001887



 5ALPHA-CHOLESTANE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001887
RECORD_TITLE: 5ALPHA-CHOLESTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA

CH$NAME: 5ALPHA-CHOLESTANE CH$NAME: CHOLESTANE CH$COMPOUND_CLASS: N/A CH$FORMULA: C27H48 CH$EXACT_MASS: 372.37560 CH$SMILES: C(C([H])41)([H])(C(C([H])3CC4)(C)CCCC3)CCC(C)(C(C(C)CCCC(C)C)2)C1([H])CC2 CH$IUPAC: InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23?,24+,25+,26+,27-/m1/s1
AC$INSTRUMENT: SHIMADZU LKB-9000B AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-9851000000-ca7764e1c20d14348ad4 PK$NUM_PEAK: 93 PK$PEAK: m/z int. rel.int. 39 2 20 41 22.2 222 42 2.5 25 43 31.8 318 45 1.7 17 53 4 40 54 2 20 55 36 360 56 3.4 34 57 17.2 172 65 1.3 13 66 1.3 13 67 29 290 68 9.2 92 69 19.3 193 70 1.9 19 71 7.5 75 77 4.1 41 78 1.2 12 79 15.9 159 80 4.8 48 81 36.1 361 82 7.9 79 83 15.8 158 84 1.3 13 85 1.5 15 91 8.5 85 92 2.4 24 93 19.5 195 94 7.4 74 95 40 400 96 5.5 55 97 10 100 105 6.4 64 106 2.8 28 107 17.3 173 108 18.3 183 109 41.2 412 110 5.5 55 111 4.3 43 117 1.1 11 119 3.8 38 120 2.4 24 121 19 190 122 15.8 158 123 20.6 206 124 2.4 24 125 1.2 12 131 1 10 133 4.3 43 134 2.3 23 135 15.7 157 136 7 70 137 7.6 76 147 6.9 69 148 11.9 119 149 49.2 492 150 18.2 182 151 8.8 88 152 1.8 18 161 6.3 63 162 7.1 71 163 8.8 88 164 2.3 23 165 1 10 175 9.2 92 176 3.5 35 177 2.5 25 189 3.8 38 190 3.6 36 191 1.3 13 203 13.4 134 204 3.3 33 205 1.2 12 216 1.7 17 217 99.99 999 218 55.2 552 219 17.3 173 220 2.2 22 231 1.5 15 232 13.7 137 233 3.4 34 259 2 20 262 8.3 83 263 2.1 21 315 1.2 12 343 1.5 15 357 26.4 264 358 7.6 76 359 1.1 11 372 32 320 373 8.9 89 374 1.3 13 //