MassBank Record: JP002212



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

ACCESSION: JP002212
RECORD_TITLE: 3-PHENYLPROPIONIC 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$NAME: 3-PHENYLPROPIONIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H12O2 CH$EXACT_MASS: 164.08373 CH$SMILES: COC(=O)CCc(c1)cccc1 CH$IUPAC: InChI=1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
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$SPLASH: splash10-0udl-5900000000-bf39f462c471652299ef PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 50 4.4 44 51 9.7 97 52 3.2 32 53 0.17 2 55 0.8 8 62 1.1 11 63 3.5 35 64 0.11 1 65 8.8 88 66 0.8 8 75 1.4 14 76 0.17 2 77 14.7 147 78 10.6 106 79 10.6 106 87 0.08 1 89 2.3 23 90 0.8 8 91 59.2 592 92 0.53 5 93 0.8 8 102 1.7 17 103 10.9 109 104 99.99 999 105 33.3 333 106 2.9 29 107 4.7 47 121 0.14 1 131 2.9 29 132 2 20 133 10.9 109 134 0.11 1 136 1.1 11 164 33.3 333 165 3.8 38 //