MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001699
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
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$LINK: COMPTOX
DTXSID2021159
AC$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
//