ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012360
RECORD_TITLE: BENZ(A)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$NAME: BENZ(A)ANTHRACENE
CH$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
CH$LINK: COMPTOX DTXSID5023902

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
//