MassBank Record: JP002179



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

ACCESSION: JP002179
RECORD_TITLE: 15-METHYLHEXADECANOIC 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$NAME: 15-METHYLHEXADECANOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H36O2 CH$EXACT_MASS: 284.27153 CH$SMILES: COC(=O)CCCCCCCCCCCCCC(C)C CH$IUPAC: InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(19)20-3/h17H,4-16H2,1-3H3
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$SPLASH: splash10-00dr-9110000000-2928094e268aec8c5f34 PK$NUM_PEAK: 56 PK$PEAK: m/z int. rel.int. 43 2 20 53 1.1 11 54 1.3 13 55 2.56 26 56 2.4 24 57 9.9 99 59 5.1 51 67 0.24 2 68 1.8 18 69 12.8 128 70 1.8 18 71 0.31 3 73 1.5 15 74 99.99 999 75 22.5 225 77 0.18 2 79 1.5 15 81 3.6 36 83 9.9 99 84 0.2 2 85 1.5 15 87 70.4 704 88 5.4 54 95 0.31 3 97 9.4 94 98 2.9 29 99 1.1 11 101 0.78 8 109 1.1 11 111 3.3 33 120 1.3 13 123 0.2 2 125 2.2 22 129 5.8 58 130 1.5 15 138 0.15 2 143 20.2 202 144 1.3 13 157 2.7 27 171 0.24 2 172 1.3 13 184 2.7 27 185 4.7 47 199 0.92 9 200 1.3 13 213 2.4 24 216 1.1 11 227 0.27 3 229 1.1 11 241 15 150 242 2.9 29 243 0.11 1 253 1.5 15 255 2 20 284 9.2 92 285 2 20 //