MassBank Record: JP003088



 CHOLESTA-3,5-DIENE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003088
RECORD_TITLE: CHOLESTA-3,5-DIENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: CHOLESTA-3,5-DIENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C27H44 CH$EXACT_MASS: 368.34430 CH$SMILES: C(C3([H])4)(C)(C([H])(CC4)C(CCCC(C)C)([H])C)CCC(C3([H])1)([H])C(C)(C2)C(C=CC2)=CC1 CH$IUPAC: InChI=1S/C27H44/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/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052f-9700000000-909a83404e7bea52da0a PK$NUM_PEAK: 99 PK$PEAK: m/z int. rel.int. 41 73 730 42 25 250 43 99.99 999 44 4.4 44 55 46 460 56 35 350 57 91.1 911 58 0.03 0 67 2 20 68 3 30 69 21 210 70 0.04 0 71 14 140 77 11 110 78 4 40 79 0.21 2 80 5 50 81 36 360 82 7 70 83 0.13 1 91 16 160 92 9 90 93 36 360 94 0.11 1 95 21 210 96 5 50 97 6 60 105 0.36 4 106 13 130 107 27 270 108 12 120 109 0.17 2 114 10 100 116 4 40 117 16 160 118 0.1 1 119 19 190 120 22 220 121 18 180 122 0.06 1 123 9 90 124 3 30 128 28 280 129 0.14 1 130 5 50 131 16 160 132 4 40 133 0.12 1 134 4 40 135 18 180 136 9 90 137 0.04 0 141 33 330 142 34 340 143 22 220 144 0.1 1 145 21 210 146 8 80 147 28 280 148 0.1 1 149 9 90 155 18 180 156 12 120 157 0.2 2 158 16 160 159 10 100 160 6 60 161 0.07 1 162 2 20 179 2 20 180 4 40 181 0.09 1 182 2 20 183 4 40 184 3 30 185 0.02 0 193 6 60 194 4 40 195 8 80 196 0.04 0 197 6 60 211 9 90 212 4 40 213 0.05 1 237 5 50 238 1 10 247 12 120 248 0.05 1 249 1 10 255 6 60 256 2 20 260 0.1 1 269 2 20 262 1 10 353 5 50 366 0.18 2 367 3 30 368 20 200 369 2 20 //