MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012347

TRANS-STILBENE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012347
RECORD_TITLE: TRANS-STILBENE; 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

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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$LINK: CAS 645-49-8
CH$LINK: INCHIKEY PJANXHGTPQOBST-VAWYXSNFSA-N
CH$LINK: COMPTOX DTXSID4026050

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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

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PK$SPLASH: splash10-001i-0910000000-deeb0aba51f6842fc5a8
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  91 2.18 22
  105 1.54 15
  117 1.46 15
  180 8.84 88
  181 99.99 999
  182 16.78 168
  183 1.19 12
  209 18.88 189
  210 3.26 33
  221 2.54 25
//