MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002486
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002486
RECORD_TITLE: TRANS-1,2-DIPHENYLETHENE; 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$NAME: TRANS-1,2-DIPHENYLETHENE
CH$NAME: TRANS-STILBENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H12
CH$EXACT_MASS: 180.09390
CH$SMILES: c(c2)ccc(c2)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11+
CH$LINK: INCHIKEY
PJANXHGTPQOBST-VAWYXSNFSA-N
CH$LINK: COMPTOX
DTXSID4026050
AC$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: splash10-0059-2900000000-ee6d4e550d2588ad7b19
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
44 4.93 49
50 4.4 44
51 10.45 105
52 3.76 38
62 2.17 22
63 6.84 68
64 1.64 16
65 1.96 20
74 2.7 27
75 3.82 38
76 13.74 137
77 9.71 97
78 4.14 41
83 3.07 31
87 1.75 18
88 4.4 44
89 18.04 180
90 4.98 50
101 1.22 12
102 9.5 95
103 2.01 20
105 2.44 24
106 1.06 11
115 3.76 38
126 1.85 19
127 1.85 19
128 1.53 15
139 2.7 27
150 1.8 18
151 4.77 48
152 9.34 93
153 2.86 29
163 1.11 11
164 1.22 12
165 34.81 348
166 4.83 48
176 7.05 71
177 6.68 67
178 48.46 485
179 82.59 826
180 99.99 999
181 14.43 144
182 1.59 16
//