MassBank Record: JP002196



 2,4-DIMETHYLBENZOIC ACID METHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002196
RECORD_TITLE: 2,4-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$NAME: 2,4-DIMETHYLBENZOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H12O2 CH$EXACT_MASS: 164.08373 CH$SMILES: COC(=O)c(c1)c(C)cc(C)c1 CH$IUPAC: InChI=1S/C10H12O2/c1-7-4-5-9(8(2)6-7)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$SPLASH: splash10-001i-2900000000-690f2da82fd946ce62b5 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 42 1.8 18 45 4.3 43 50 1.8 18 51 0.75 8 52 4.3 43 53 5.6 56 59 1.2 12 60 0.12 1 62 2.5 25 63 4.3 43 65 4.3 43 66 0.12 1 74 5 50 75 1.2 12 77 21.8 218 78 0.75 8 79 15.6 156 80 2.5 25 89 4.3 43 91 0.56 6 93 1.2 12 102 2.5 25 103 11.2 112 104 1.75 18 105 57.5 575 106 6.8 68 119 2.5 25 120 0.31 3 123 1.2 12 132 58.7 587 133 99.99 999 134 1 10 135 3.1 31 137 1.2 12 140 1.8 18 147 0.18 2 149 3.7 37 163 3.7 37 164 46.8 468 165 5 50 //