MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000291
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000291
RECORD_TITLE: 1,1-DIPHENYLETHYLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1,1-DIPHENYLETHYLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H12
CH$EXACT_MASS: 180.09390
CH$SMILES: c(c2)ccc(c2)C(=C)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2
CH$LINK: INCHIKEY
ZMYIIHDQURVDRB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5060190
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00pi-2900000000-a2ae7cce0b0689006172
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
27 2.8 28
28 2.8 28
39 6 60
50 0.65 7
51 16.8 168
52 4.6 46
63 8.5 85
74 0.4 4
75 5.4 54
76 19.3 193
77 18.8 188
78 0.43 4
83 4.3 43
88 6 60
89 23.9 239
90 0.48 5
91 4 40
102 9.7 97
103 5.4 54
115 0.48 5
139 3.4 34
151 6 60
152 11.4 114
153 0.34 3
165 76.1 761
166 12.5 125
176 9.1 91
177 0.94 9
178 56 560
179 77.3 773
180 99.99 999
181 16.2 162
//