MassBank Record: JP002622



 2,4-HEXADIENOIC ACID METHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002622
RECORD_TITLE: 2,4-HEXADIENOIC 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$NAME: 2,4-HEXADIENOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H10O2 CH$EXACT_MASS: 126.06808 CH$SMILES: CC=CC=CC(=O)OC CH$IUPAC: InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+
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$SPLASH: splash10-02t9-9600000000-644e86a7cf81a828f04e PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 50 3.2 32 51 5.7 57 52 2.4 24 53 0.54 5 55 3.5 35 59 8.1 81 62 2.4 24 63 0.4 4 65 24.4 244 66 35 350 67 99.99 999 68 0.84 8 69 2.1 21 72 3.2 32 79 2.1 21 81 0.21 2 83 6.5 65 93 2.1 21 94 3.2 32 95 8.15 82 96 5.7 57 97 2.4 24 111 97.2 972 112 0.62 6 125 5.1 51 126 52.9 529 127 4 40 //