MassBank Record: JP012368



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

ACCESSION: JP012368
RECORD_TITLE: BENZO(A)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$NAME: BENZO(A)PYRENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H12 CH$EXACT_MASS: 252.09390 CH$SMILES: c(c5)cc(c4)c(c5)c(c1)c(c34)c(c2cc3)c(ccc2)c1 CH$IUPAC: InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H CH$LINK: CAS 50-32-8 CH$LINK: INCHIKEY FMMWHPNWAFZXNH-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$SPLASH: splash10-0udi-0090000000-aebdc23a6e4cb494681e PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 252 37.69 377 253 99.99 999 254 21.38 214 255 5.42 54 267 1.6 16 281 15.58 156 282 3.71 37 283 1.45 15 293 2.36 24 //