MassBank Record: JP002639



 3,5-DIMETHOXYBENZOIC ACID METHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002639
RECORD_TITLE: 3,5-DIMETHOXYBENZOIC 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$NAME: 3,5-DIMETHOXYBENZOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H12O4 CH$EXACT_MASS: 196.07356 CH$SMILES: COC(=O)c(c1)cc(OC)cc(OC)1 CH$IUPAC: InChI=1S/C10H12O4/c1-12-8-4-7(10(11)14-3)5-9(6-8)13-2/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$SPLASH: splash10-0a4i-9800000000-0abf4ca17a48e7f4506e PK$NUM_PEAK: 44 PK$PEAK: m/z int. rel.int. 50 22.4 224 51 67.2 672 52 21 210 53 2.45 25 59 48.3 483 62 31.1 311 63 92 920 64 3.3 33 65 16.6 166 66 24 240 69 65.8 658 74 1.14 11 75 13.1 131 77 92 920 78 34.1 341 79 7.02 70 82 12.5 125 91 16.6 166 92 35.5 355 93 1.63 16 94 28.1 281 95 19.3 193 98 14.7 147 106 2.4 24 107 99.99 999 108 50.8 508 109 77.8 778 110 1.03 10 122 60.3 603 123 39.3 393 125 16.9 169 135 7.86 79 136 11.2 112 137 72.1 721 138 20.4 204 139 2.92 29 150 22.1 221 151 13.6 136 165 36.8 368 166 6.8 68 167 11.2 112 196 46.7 467 197 18.8 188 198 10.3 103 //