MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010466
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010466
RECORD_TITLE: PHTHALIC ANHYDRIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
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$LINK: INCHIKEY
LGRFSURHDFAFJT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021159
AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0ufr-9400000000-0d538ca402ab68b3c933
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
25 1.05 11
26 3.75 38
27 2.23 22
29 1.5 15
36 1.59 16
37 14.8 148
38 17.05 171
39 4.18 42
44 1.85 19
45 1.75 18
48 1.06 11
49 8.31 83
50 59.23 592
51 4.8 48
52 4.37 44
53 3.37 34
60 1.03 10
61 3.52 35
62 2.02 20
63 1.77 18
65 1.83 18
73 6.8 68
74 25.11 251
75 14.58 146
76 89.78 898
77 11.06 111
104 99.99 999
105 10.95 110
122 2.98 30
148 15.38 154
149 2.54 25
//