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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012345

DIPHENYLACETYLENE; CI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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
//

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