MassBank Record: JP003321



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

ACCESSION: JP003321
RECORD_TITLE: METHYL 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$NAME: METHYL 9-OCTADECENOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H36O2 CH$EXACT_MASS: 296.27153 CH$SMILES: CCCCCCCCC=CCCCCCCCC(=O)OC CH$IUPAC: InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10+
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$SPLASH: splash10-0fl9-9100000000-d219c988b5e92fcbfa53 PK$NUM_PEAK: 82 PK$PEAK: m/z int. rel.int. 43 49.5 495 45 2.9 29 53 17.3 173 54 94.3 943 55 16.9 169 56 26.2 262 58 11.5 115 65 0.23 2 66 2.2 22 67 31.4 314 68 17.9 179 69 4.78 48 70 11.6 116 71 8.7 87 73 4.4 44 74 99.99 999 75 14.1 141 77 2.6 26 79 8.8 88 80 0.56 6 81 26.6 266 82 17.8 178 83 33.5 335 84 2.4 24 85 6.3 63 87 50.9 509 88 4.9 49 91 0.51 5 92 2.2 22 93 4.9 49 94 5.3 53 95 1.88 19 96 22 220 97 24.7 247 98 22 220 99 0.3 3 101 7.1 71 105 2.3 23 107 3.6 36 108 0.32 3 109 9.9 99 110 11.6 116 111 12.2 122 114 0.25 3 115 5.3 53 119 2.3 23 120 4 40 123 0.82 8 124 6.3 63 125 6.4 64 128 2.8 28 129 0.63 6 133 2.3 23 135 4.2 42 137 5.3 53 138 0.47 5 139 4.2 42 141 3.7 37 143 9.8 98 151 0.39 4 152 5 50 153 2.5 25 157 2.2 22 165 0.22 2 166 3.9 39 171 2.5 25 180 5.7 57 185 0.25 3 194 2.8 28 199 3.3 33 220 2.2 22 221 0.21 2 222 7.1 71 227 2.5 25 236 3.3 33 242 0.28 3 264 20.5 205 265 9.5 95 270 5.1 51 294 0.36 4 296 5.6 56 297 2.8 28 //