MassBank Record: JP002197



 2,5-DIMETHYLBENZOIC ACID METHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002197
RECORD_TITLE: 2,5-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$NAME: 2,5-DIMETHYLBENZOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H12O2 CH$EXACT_MASS: 164.08373 CH$SMILES: COC(=O)c(c1)c(C)ccc(C)1 CH$IUPAC: InChI=1S/C10H12O2/c1-7-4-5-8(2)9(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$SPLASH: splash10-001i-2900000000-3b368cce71f0f903d7fe PK$NUM_PEAK: 44 PK$PEAK: m/z int. rel.int. 45 11.2 112 50 2.8 28 51 18.6 186 52 0.28 3 53 7.4 74 54 1.8 18 55 1.8 18 59 1.02 10 62 3.7 37 63 5.6 56 65 7.4 74 71 0.18 2 73 1.8 18 74 2.8 28 75 5.6 56 77 2.99 30 78 12.1 121 79 21.4 214 80 2.8 28 89 0.18 2 91 9.3 93 92 2.8 28 93 4.6 46 102 0.56 6 103 22.4 224 104 44.8 448 105 80.3 803 106 0.74 7 110 2.8 28 116 1.8 18 117 1.8 18 119 0.28 3 120 2.8 28 132 99.99 999 133 85.9 859 134 1.02 10 135 1.8 18 147 2.8 28 149 8.4 84 150 0.18 2 157 1.8 18 163 3.7 37 164 56 560 165 5.6 56 //