MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004720
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004720
RECORD_TITLE: TRIPHENYLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: TRIPHENYLENE
CH$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$LINK: CAS
217-59-4
CH$LINK: INCHIKEY
SLGBZMMZGDRARJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9059757
AC$INSTRUMENT: JEOL JMS-D-3000
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-0390000000-1cbe3a83291fbe590abb
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
75 1.34 13
87 1.89 19
88 2.88 29
99 1.52 15
100 7.22 72
101 8.76 88
102 1.46 15
112 9.26 93
113 22.94 229
114 18.69 187
115 3.28 33
200 3.18 32
201 1.76 18
202 2.7 27
223 1.08 11
224 6.14 61
225 4.78 48
226 27.09 271
227 12.69 127
228 99.99 999
229 19.88 199
230 1.99 20
//