MassBank Record: JP001699



 1,2-BENZENEDICARBOXYLIC ANHYDRIDE; CI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001699
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ANHYDRIDE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1,2-BENZENEDICARBOXYLIC ANHYDRIDE CH$NAME: PHTHALIC ACID ANHYDRIDE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H4O3 CH$EXACT_MASS: 148.01604 CH$SMILES: O=c(o1)c(c2)c(ccc2)c(=O)1 CH$IUPAC: InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0002-0900000000-f294df68526825693d7d PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 63 0.32 3 66 0.23 2 67 0.14 1 74 0.31 3 75 0.38 4 76 1.04 10 77 0.39 4 78 0.24 2 79 0.32 3 85 0.15 2 91 0.62 6 92 0.22 2 93 0.11 1 104 3.9 39 105 2.37 24 106 0.11 1 129 0.22 2 133 0.41 4 147 0.96 10 149 99.99 999 150 16.55 166 151 1.88 19 159 0.34 3 189 1.46 15 190 0.14 1 //