MassBank Record: JP002163



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

ACCESSION: JP002163
RECORD_TITLE: 11-METHYLDODECANOIC 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$NAME: 11-METHYLDODECANOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H28O2 CH$EXACT_MASS: 228.20893 CH$SMILES: COC(=O)CCCCCCCCCC(C)C CH$IUPAC: InChI=1S/C14H28O2/c1-13(2)11-9-7-5-4-6-8-10-12-14(15)16-3/h13H,4-12H2,1-3H3
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$SPLASH: splash10-00di-9100000000-dd95718648ff6c0211f0 PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 44 4.4 44 55 21.5 215 56 4.7 47 57 1.15 12 67 2.9 29 69 10.6 106 71 4.1 41 74 99.99 999 75 14.4 144 77 2.9 29 79 2.3 23 81 0.32 3 83 8.2 82 84 2 20 85 3.2 32 87 5.41 54 88 5 50 95 2.9 29 97 8.8 88 98 0.2 2 101 5 50 109 1.7 17 111 1.7 17 115 0.32 3 129 5.9 59 130 2.3 23 138 1.7 17 143 1.39 14 144 2.9 29 157 1.7 17 168 3.2 32 185 1.68 17 197 2 20 199 2 20 228 7.1 71 229 1.7 17 //