MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012358
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012358
RECORD_TITLE: CHRYSENE; 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$NAME: CHRYSENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H12
CH$EXACT_MASS: 228.09390
CH$SMILES: c(c4)cc(c3)c(c4)c(c1)c(c3)c(c2)c(ccc2)c1
CH$IUPAC: InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
CH$LINK: CAS
218-01-9
CH$LINK: INCHIKEY
WDECIBYCCFPHNR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0022432
AC$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-bf604ac371f686414ffb
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
228 11.24 112
229 99.99 999
230 19.33 193
231 2.42 24
257 20.52 205
258 4.51 45
269 4.04 40
//