MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001699

1,2-BENZENEDICARBOXYLIC ANHYDRIDE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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

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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$IUPAC: InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
CH$LINK: INCHIKEY LGRFSURHDFAFJT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021159

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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

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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
//