MassBank Record: JP012369



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

ACCESSION: JP012369
RECORD_TITLE: BENZO(E)PYRENE; 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$NAME: BENZO(E)PYRENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H12 CH$EXACT_MASS: 252.09390 CH$SMILES: c(c5)cc(c(c5)1)c(c4)c(c(cc4)3)c(c2cc3)c(ccc2)1 CH$IUPAC: InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H CH$LINK: CAS 192-97-2 CH$LINK: INCHIKEY TXVHTIQJNYSSKO-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$SPLASH: splash10-0udi-0090000000-057dde1b8cc3d08819d3 PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 252 17.42 174 253 99.99 999 254 20.71 207 255 2.95 30 281 19.33 193 282 4.63 46 293 3.48 35 //