MassBank Record: JP002200



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

ACCESSION: JP002200
RECORD_TITLE: 2-METHYLBENZOIC 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$NAME: 2-METHYLBENZOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O2 CH$EXACT_MASS: 150.06808 CH$SMILES: COC(=O)c(c1)c(C)ccc1 CH$IUPAC: InChI=1S/C9H10O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6H,1-2H3
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$SPLASH: splash10-014i-6900000000-8aa8201a6c48c2865c69 PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 45 5.5 55 50 3.1 31 51 9.4 94 53 0.39 4 59 8.6 86 60 1.5 15 62 3.9 39 63 0.78 8 64 2.3 23 65 29.9 299 66 3.1 31 68 0.07 1 69 1.5 15 73 0.7 7 74 3.9 39 76 0.07 1 77 11.8 118 78 0.7 7 79 3.9 39 80 0.15 2 86 0.7 7 87 2.3 23 89 10.2 102 90 2.51 25 91 88.9 889 92 1.5 15 97 0.7 7 105 0.78 8 106 3.1 31 107 3.1 31 110 0.7 7 112 0.07 1 115 0.7 7 118 75.5 755 119 99.99 999 120 0.94 9 121 3.9 39 122 2.3 23 123 2.3 23 133 0.39 4 135 7 70 136 3.9 39 137 0.7 7 149 0.07 1 150 50.3 503 151 6.2 62 152 1.5 15 //