MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001698

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

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001698
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ANHYDRIDE; EI-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: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0ufr-5900000000-e692789339ec94f42c67
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  18 1.87 19
  28 1.7 17
  44 3.63 36
  49 10.41 104
  76 65.22 652
  77 4.16 42
  104 99.99 999
  105 7.77 78
  148 32.68 327
  149 2.15 22
//