MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001604
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001604
RECORD_TITLE: TRIPHENYLENE; 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$NAME: TRIPHENYLENE
CH$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: CAS
217-59-4
CH$LINK: INCHIKEY
SLGBZMMZGDRARJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9059757
AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-004i-1590000000-51a4cf32f02d8403b2c5
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
43 2.33 23
44 1.31 13
50 1.6 16
51 1.75 18
62 1.31 13
63 2.48 25
74 2.33 23
75 3.79 38
76 2.18 22
86 1.31 13
87 5.1 51
88 6.71 67
98 1.45 15
99 4.67 47
100 12.99 130
101 14.01 140
111 2.91 29
112 18.68 187
113 36.93 369
114 22.18 222
115 1.16 12
150 1.16 12
199 1.16 12
200 4.08 41
201 2.18 22
202 3.79 38
223 1.16 12
224 6.71 67
225 6.42 64
226 28.02 280
227 18.54 185
228 99.99 999
229 19.41 194
230 2.33 23
//