MassBank Record: JP002183



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

ACCESSION: JP002183
RECORD_TITLE: 19-METHYLEICOSANOIC ACID METHYL ESTER; 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$NAME: 19-METHYLEICOSANOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H44O2 CH$EXACT_MASS: 340.33413 CH$SMILES: COC(=O)CCCCCCCCCCCCCCCCCC(C)C CH$IUPAC: InChI=1S/C22H44O2/c1-21(2)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22(23)24-3/h21H,4-20H2,1-3H3
AC$INSTRUMENT: JEOL JMS-01-SG AC$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$SPLASH: splash10-00dr-9210000000-8bbc2d09780f72030712 PK$NUM_PEAK: 67 PK$PEAK: m/z int. rel.int. 54 1.3 13 55 31.5 315 56 8.5 85 57 3.09 31 67 5.5 55 68 1.3 13 69 21 210 70 0.23 2 71 12.1 121 74 99.99 999 75 26.6 266 81 0.55 6 82 3.2 32 83 12.1 121 84 3.6 36 85 0.69 7 87 66.4 664 88 6.5 65 95 4.2 42 96 0.13 1 97 12.1 121 98 4.6 46 99 1.6 16 101 1.05 11 103 1.3 13 109 2.6 26 111 4.9 49 115 0.29 3 116 1.3 13 121 1.6 16 122 1.9 19 123 0.13 1 124 1.6 16 125 2.9 29 129 7.8 78 130 0.26 3 135 1.9 19 136 1.3 13 143 21 210 144 0.19 2 149 1.6 16 157 3.9 39 171 2.3 23 172 0.16 2 185 7.8 78 197 1.3 13 199 9.5 95 200 0.23 2 213 2.3 23 225 1.3 13 227 2.9 29 228 0.16 2 241 7.8 78 242 1.9 19 255 5.2 52 256 0.16 2 269 1.3 13 283 1.6 16 284 1.3 13 291 0.13 1 297 14.4 144 298 2.3 23 309 1.3 13 311 0.19 2 312 1.3 13 340 17.1 171 341 4.6 46 //