MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011279
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011279
RECORD_TITLE: TRIPHENYLENE; 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$NAME: TRIPHENYLENE
CH$NAME: 9,10-BENZOPHENANTHRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H12
CH$EXACT_MASS: 228.09390
CH$SMILES: c(c4)cc(c(c4)1)c(c3)c(ccc3)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H
CH$LINK: INCHIKEY
SLGBZMMZGDRARJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9059757
AC$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: splash10-004i-0190000000-1333b8e7d67faf2be6d4
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
39 1.2 12
87 1.16 12
88 1.31 13
100 2.72 27
101 3.45 35
112 3.13 31
113 8.19 82
114 7.09 71
115 1.36 14
200 3.09 31
201 1.63 16
202 3.14 31
224 4.89 49
225 4.1 41
226 22.26 223
227 11.72 117
228 99.99 999
229 19.33 193
230 1.87 19
//