MassBank Record: JP012360



 BENZ(A)ANTHRACENE; CI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP012360
RECORD_TITLE: BENZ(A)ANTHRACENE; CI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: IIDA YFAC. OF ENGINEERING, SEIKEI UNIV., DAISHIMA SFAC. OF ENGINEERING, SEIKEI UNIV., FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: BENZ(A)ANTHRACENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H12 CH$EXACT_MASS: 228.09390 CH$SMILES: c(c4)cc(c3)c(c4)cc(c13)c(c2)c(ccc2)cc1 CH$IUPAC: InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H CH$LINK: CAS 56-55-3 CH$LINK: INCHIKEY DXBHBZVCASKNBY-UHFFFAOYSA-N
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$SPLASH: splash10-004i-0090000000-dffdcd93884b16f326ef PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 228 20.85 209 229 99.99 999 230 18.53 185 231 3.15 32 257 17.74 177 258 3.89 39 269 3.09 31 //