MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008255
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008255
RECORD_TITLE: PHTHALIC ANHYDRIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: PHTHALIC ANHYDRIDE
CH$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$LINK: CAS
85-44-9
CH$LINK: INCHIKEY
LGRFSURHDFAFJT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021159
AC$INSTRUMENT: HITACHI M-60
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: splash10-0ufr-9500000000-68ab39d6cc551f8e0f9f
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
28 1.25 13
37 14.22 142
38 28.87 289
39 3.08 31
44 1.72 17
49 6.4 64
50 51.29 513
51 4.04 40
52 10.24 102
53 1.85 19
61 2.61 26
62 1.49 15
63 1.67 17
73 5.96 60
74 18.71 187
75 11.53 115
76 88.98 890
77 7.16 72
104 99.99 999
105 7.84 78
148 35.06 351
149 3.31 33
//