MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012377

ANTHANTHRENE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012377
RECORD_TITLE: ANTHANTHRENE; 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$NAME: ANTHANTHRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₁₂
CH$EXACT_MASS: 276.09390
CH$SMILES: c(c6)cc(c4)c(c65)c(c(cc5)1)c(c34)c(c2cc3)c(ccc2)c1
CH$IUPAC: InChI=1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H
CH$LINK: CAS 191-26-4
CH$LINK: INCHIKEY YFIJJNAKSZUOLT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9075452

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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$SPLASH: splash10-004i-0090000000-4e6b4dd5389c48828d87
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  276 49.86 499
  277 99.99 999
  278 24.89 249
  279 8.44 84
  280 1.89 19
  281 1.35 14
  305 12.27 123
  306 3.39 34
  307 1.66 17
  317 1.77 18
//