MassBank Record: JP002711



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

ACCESSION: JP002711
RECORD_TITLE: 5-ALPHA-CHOLESTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 5-ALPHA-CHOLESTANE CH$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$SPLASH: splash10-066r-9852000000-3f16668bd0029614e716 PK$NUM_PEAK: 120 PK$PEAK: m/z int. rel.int. 53 5.3 53 54 1.5 15 55 32.3 323 56 4.8 48 57 19.7 197 58 2.2 22 59 0.6 6 65 0.31 3 66 1.9 19 67 25.2 252 68 10.7 107 69 2.37 24 70 3.2 32 71 7.1 71 72 1.9 19 75 1.59 16 76 2.8 28 77 6.9 69 78 1.7 17 79 1.56 16 80 5.3 53 81 39.1 391 82 9.4 94 83 1.67 17 84 1.9 19 85 2 20 87 0.5 5 88 0.16 2 91 9.9 99 92 2.7 27 93 20.9 209 94 0.88 9 95 40 400 96 1 10 97 11 110 98 0.16 2 99 1.2 12 101 1.1 11 105 8.4 84 106 0.45 5 107 15.6 156 108 18.9 189 109 39.8 398 110 0.19 2 111 4.9 49 112 1.9 19 113 1.4 14 115 0.07 1 116 1.5 15 117 2 20 118 1.4 14 119 0.37 4 120 3.5 35 121 20.4 204 122 16.7 167 123 1.99 20 124 3.1 31 125 1.2 12 128 1.4 14 129 0.22 2 131 1.3 13 134 2.5 25 135 15.6 156 136 0.56 6 137 8.8 88 138 1 10 143 0.2 2 145 0.09 1 146 1.2 12 147 5.9 59 148 12.6 126 149 4.73 47 150 19 190 151 11.1 111 152 1.7 17 153 0.12 1 155 1.4 14 159 1.8 18 161 4.5 45 162 0.83 8 163 7.5 75 164 2.2 22 165 0.4 4 175 0.97 10 176 0.8 8 178 0.1 1 179 0.6 6 189 0.36 4 190 1.8 18 202 1 10 203 9.4 94 204 0.22 2 215 1.2 12 216 1.3 13 217 99.99 999 218 5.7 57 219 15.2 152 220 3 30 221 0.6 6 223 0.01 0 231 1.9 19 232 12.7 127 233 4.1 41 247 0.16 2 251 0.3 3 257 3.7 37 258 1.2 12 259 0.15 2 262 9.6 96 263 1.5 15 266 0.1 1 295 0.03 0 315 1.1 11 354 1.6 16 357 27.2 272 358 0.86 9 370 1.2 12 372 33.8 338 373 8.6 86 374 1.2 12 //