MassBank Record: JP002229



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

ACCESSION: JP002229
RECORD_TITLE: TEREPHTHALALDEHYDIC 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$NAME: TEREPHTHALALDEHYDIC ACID METHYL ESTER CH$NAME: METHYL PARA-FORMYLBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H8O3 CH$EXACT_MASS: 164.04734 CH$SMILES: O=Cc(c1)ccc(c1)C(=O)OC CH$IUPAC: InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3
AC$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: splash10-001i-4900000000-fe21f4a3ee117cb5579b PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 49 0.9 9 50 13.5 135 51 20.7 207 52 0.29 3 53 0.9 9 62 1.4 14 63 1.7 17 66 0.17 2 75 6.4 64 76 9.6 96 77 31.1 311 78 0.17 2 91 0.9 9 92 1.4 14 103 6.1 61 104 0.64 6 105 38.7 387 106 3.4 34 107 1.7 17 119 0.29 3 120 3.2 32 121 0.9 9 133 99.99 999 134 0.93 9 135 10.3 103 136 1.4 14 163 18.7 187 164 5.35 54 165 6.1 61 //