MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012359

TRIPHENYLENE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012359
RECORD_TITLE: TRIPHENYLENE; 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$NAME: TRIPHENYLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₂
CH$EXACT_MASS: 228.09390
CH$SMILES: c(c4)cc(c(c4)1)c(c3)c(ccc3)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H
CH$LINK: CAS 217-59-4
CH$LINK: INCHIKEY SLGBZMMZGDRARJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9059757

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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$SPLASH: splash10-004i-0090000000-d7a372fd0b5ccba3bd65
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  228 7.92 79
  229 99.99 999
  230 19.12 191
  231 2.01 20
  257 21.47 215
  258 4.7 47
  269 4.54 45
  270 1.07 11
//