MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010781
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010781
RECORD_TITLE: PHTHALIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: PHTHALIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H6O2
CH$EXACT_MASS: 134.03678
CH$SMILES: O=C(O1)c(c2)c(ccc2)C1
CH$IUPAC: InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2
CH$LINK: COMPTOX
DTXSID0052594
CH$LINK: INCHIKEY
WNZQDUSMALZDQF-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:6885
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-0a59-5900000000-cb40a9fce63b687c154c
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
44 1.23 12
49 1.11 11
50 9.63 96
51 12.1 121
52 2.98 30
61 1.08 11
62 1.89 19
63 3.17 32
66 3.22 32
74 3.5 35
75 2.99 30
76 9.66 97
77 40.66 407
78 3.7 37
89 1.6 16
104 2.85 29
105 99.99 999
106 8.03 80
133 15.05 151
134 44.25 443
135 4.03 40
//