MassBank Record: JP003322



 ETHYL 9-OCTADECENOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003322
RECORD_TITLE: ETHYL 9-OCTADECENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 9-OCTADECENOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H38O2 CH$EXACT_MASS: 310.28718 CH$SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC CH$IUPAC: InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11+
AC$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0udi-9310000000-09258099745f0ed4ee7d PK$NUM_PEAK: 92 PK$PEAK: m/z int. rel.int. 45 10.8 108 53 30 300 54 99.99 999 55 22.7 227 56 45.8 458 57 1.8 18 58 4.4 44 59 1.51 15 60 13.3 133 65 2.6 26 66 2.5 25 67 4.68 47 68 24.1 241 69 87.4 874 70 26.2 262 71 1.45 15 73 19.5 195 74 11.2 112 77 3 30 79 1.16 12 80 6.7 67 81 39.5 395 82 24.5 245 83 7.18 72 84 41.4 414 85 10.5 105 87 10.2 102 88 9.43 94 89 16.3 163 91 3.7 37 93 7 70 94 0.7 7 95 28.1 281 96 36.5 365 97 40.9 409 98 3.66 37 99 4.8 48 101 65.8 658 102 5.5 55 107 0.47 5 108 4.7 47 109 15.3 153 110 18.5 185 111 2.02 20 112 8.5 85 115 10 100 119 3.7 37 121 0.63 6 123 12.3 123 124 8.1 81 125 10 100 126 0.35 4 128 3.5 35 129 6.2 62 133 2.7 27 134 0.25 3 135 5 50 137 9 90 138 7.7 77 139 0.66 7 141 3.6 36 142 3.5 35 143 7.2 72 147 0.26 3 149 2.6 26 151 6.3 63 152 8.2 82 153 0.45 5 155 8.1 81 157 10.5 105 165 4.2 42 166 0.62 6 169 2.6 26 171 2.8 28 180 9.3 93 185 0.26 3 194 3.8 38 199 3 30 213 4.5 45 220 0.37 4 222 15.8 158 223 3.2 32 236 5.1 51 246 0.26 3 264 37.4 374 265 20 200 266 3 30 284 0.53 5 285 2.1 21 310 12.7 127 311 10.6 106 312 3.5 35 //