MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003405
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003405
RECORD_TITLE: BENZANTHRONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: BENZANTHRONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H10O
CH$EXACT_MASS: 230.07316
CH$SMILES: c(c4)cc(c(=O)1)c(c4)c(c3)c(c2cc3)c(ccc2)1
CH$IUPAC: InChI=1S/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-10H
CH$LINK: INCHIKEY
HUKPVYBUJRAUAG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8052566
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0f89-1290000000-d6c0452c9631ee953792
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
43 4.1 41
44 4.1 41
50 4 40
57 4.1 41
75 4.1 41
76 4.1 41
87 4.1 41
88 0.83 8
100 12 120
101 17.5 175
115 4.1 41
150 0.4 4
151 4 40
152 6.1 61
180 7.2 72
200 1.61 16
201 12.4 124
202 35.9 359
203 6.4 64
208 0.87 9
230 99.99 999
231 18.8 188
//
system version 2.2.6-SNAPSHOT