MassBank Record: JP002218



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

ACCESSION: JP002218
RECORD_TITLE: (ORTHO-METHOXYCARBONYL)PHENYLACETIC 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$NAME: (ORTHO-METHOXYCARBONYL)PHENYLACETIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H12O4 CH$EXACT_MASS: 208.07356 CH$SMILES: COC(=O)Cc(c1)c(ccc1)C(=O)OC CH$IUPAC: InChI=1S/C11H12O4/c1-14-10(12)7-8-5-3-4-6-9(8)11(13)15-2/h3-6H,7H2,1-2H3
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$SPLASH: splash10-002b-3900000000-0cd70492ca6bdf804629 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 38 2.6 26 39 7.8 78 50 2.6 26 51 0.96 10 52 2.6 26 53 3.5 35 62 6.1 61 63 1.4 14 64 6.1 61 65 10.5 105 75 1.7 17 76 0.35 4 77 10.5 105 78 7 70 79 2.6 26 88 0.17 2 89 25.4 254 90 21 210 91 67.5 675 92 0.35 4 103 2.6 26 104 2.6 26 105 14.9 149 106 0.35 4 117 3.5 35 118 9.6 96 119 40.3 403 120 0.43 4 121 2.6 26 133 78.9 789 134 9.6 96 145 0.26 3 148 99.99 999 149 80.7 807 150 7 70 163 0.17 2 176 98.2 982 177 33.3 333 178 4.3 43 208 2.6 26 //