MassBank Record: JP002198



 3,4-DIMETHYLBENZOIC ACID METHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002198
RECORD_TITLE: 3,4-DIMETHYLBENZOIC 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$NAME: 3,4-DIMETHYLBENZOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H12O2 CH$EXACT_MASS: 164.08373 CH$SMILES: COC(=O)c(c1)cc(C)c(C)c1 CH$IUPAC: InChI=1S/C10H12O2/c1-7-4-5-9(6-8(7)2)10(11)12-3/h4-6H,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$SPLASH: splash10-001i-2900000000-d222e838dbdc3d456eb1 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 44 3.2 32 45 1.3 13 51 6.8 68 52 0.13 1 53 1.8 18 59 1.8 18 62 1.8 18 63 0.22 2 64 1.8 18 65 3.2 32 66 2.7 27 68 0.13 1 75 0.9 9 77 11 110 78 3.2 32 79 1.19 12 82 0.9 9 89 2.2 22 91 1.3 13 92 0.18 2 98 1.3 13 102 1.8 18 103 6.8 68 104 0.18 2 105 35.3 353 106 3.2 32 107 0.9 9 120 0.13 1 123 0.9 9 125 0.9 9 133 99.99 999 134 0.91 9 135 2.2 22 139 0.9 9 149 0.9 9 157 0.09 1 163 1.8 18 164 29.8 298 165 3.2 32 181 0.9 9 //