MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012345
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012345
RECORD_TITLE: DIPHENYLACETYLENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: DIPHENYLACETYLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H10
CH$EXACT_MASS: 178.07825
CH$SMILES: c(c2)ccc(c2)C#Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H
CH$LINK: CAS
501-65-5
CH$LINK: INCHIKEY
JRXXLCKWQFKACW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4060109
AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE
PK$SPLASH: splash10-004i-0920000000-ea5233117f070ede91f3
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
91 1.75 18
129 2.6 26
177 1.5 15
178 6.63 66
179 99.99 999
180 15.69 157
181 2.75 28
197 1.11 11
207 24.5 245
208 3.94 39
209 1.26 13
219 7.69 77
220 1.02 10
//
system version 2.2.6-SNAPSHOT