MassBank Record: JP002232



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

ACCESSION: JP002232
RECORD_TITLE: PHENYLPROPIOLIC 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$NAME: PHENYLPROPIOLIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H8O2 CH$EXACT_MASS: 160.05243 CH$SMILES: COC(=O)C#Cc(c1)cccc1 CH$IUPAC: InChI=1S/C10H8O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,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$SPLASH: splash10-0fb9-2900000000-01da70e9791d312ae174 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 44 4.4 44 49 3.7 37 50 8.5 85 51 3.01 30 61 4.8 48 62 7 70 63 6.6 66 74 0.7 7 75 52.7 527 76 5.9 59 77 6.6 66 89 0.81 8 98 5.5 55 100 2.6 26 101 30.8 308 102 99.99 999 103 7.8 78 129 99.2 992 130 30.4 304 131 0.44 4 160 71.7 717 161 8.5 85 //