MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002990
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002990
RECORD_TITLE: TRIPHENYLETHENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: TRIPHENYLETHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H16
CH$EXACT_MASS: 256.12520
CH$SMILES: c(c3)ccc(c3)C=C(c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
CH$LINK: INCHIKEY
MKYQPGPNVYRMHI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3022320
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a6r-0590000000-cbe8d81fd288908811ce
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
50 3 30
51 7.2 72
63 3.6 36
64 0.32 3
74 1.6 16
75 2.5 25
76 2.8 28
77 0.53 5
87 1.6 16
88 1.9 19
89 1.9 19
91 0.34 3
100 2.2 22
101 4.3 43
102 1.6 16
103 0.22 2
106 1.6 16
107 2.2 22
112 1.8 18
113 0.81 8
114 4.2 42
115 2.3 23
119 2.2 22
120 0.07 1
125 3 30
126 9.9 99
127 3.4 34
128 0.17 2
139 2.2 22
150 2.4 24
151 5.6 56
152 0.91 9
153 2.2 22
163 1.8 18
165 23.6 236
166 0.27 3
176 11.1 111
177 8.9 89
178 50.5 505
179 0.38 4
180 5.1 51
189 2.6 26
200 1.8 18
202 0.04 0
213 1.8 18
215 9.5 95
226 6.2 62
227 0.21 2
228 6.9 69
229 3.5 35
239 20.9 209
240 1.72 17
241 23.9 239
242 4.5 45
250 3.2 32
251 0.18 2
252 14.8 148
253 17 170
254 10.6 106
255 3.06 31
256 99.99 999
257 21.3 213
258 2 20
//