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MassBank Record: JP012343

ANTHRACENE; CI-B; MS

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

ACCESSION: JP012343
RECORD_TITLE: ANTHRACENE; 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$NAME: ANTHRACENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H10
CH$EXACT_MASS: 178.07825
CH$SMILES: c(c3)cc(c1)c(c3)cc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
CH$LINK: CAS 120-12-7
CH$LINK: INCHIKEY MWPLVEDNUUSJAV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0023878

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$SPLASH: splash10-004i-0910000000-ac28bce594f91ad10f14
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  178 21.19 212
  179 99.99 999
  180 14.74 147
  181 1.64 16
  207 19.15 192
  208 3.25 33
  219 3.33 33
//

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