MassBank Record: JP002164



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

ACCESSION: JP002164
RECORD_TITLE: 12-METHYLTRIDECANOIC 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$NAME: 12-METHYLTRIDECANOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H30O2 CH$EXACT_MASS: 242.22458 CH$SMILES: COC(=O)CCCCCCCCCCC(C)C CH$IUPAC: InChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17-3/h14H,4-13H2,1-3H3
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$SPLASH: splash10-00di-9200000000-966db9aaa54d6cbabdf9 PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 43 3.4 34 55 26.2 262 56 7.3 73 57 1.5 15 59 3 30 67 3 30 69 13.1 131 70 0.46 5 71 2.3 23 74 99.99 999 75 16.6 166 81 0.38 4 83 9.2 92 84 3 30 85 2.3 23 87 6.98 70 88 8.1 81 92 3.4 34 95 3.4 34 97 1.11 11 98 1.9 19 99 2.7 27 101 9.2 92 109 0.19 2 111 4.6 46 113 1.5 15 115 3.8 38 125 0.19 2 126 1.9 19 129 6.1 61 130 3.4 34 138 0.15 2 143 15.8 158 144 3 30 154 1.9 19 157 0.42 4 159 2.3 23 166 1.9 19 185 1.5 15 199 2.2 22 200 4.2 42 202 1.9 19 211 2.3 23 212 0.15 2 242 7.3 73 243 1.9 19 //