MassBank Record: JP001606



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

ACCESSION: JP001606
RECORD_TITLE: BENZO(A)PYRENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
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$LINK: CAS 50-32-8
AC$INSTRUMENT: VARIAN MAT-44 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0udi-0590000000-6a1e4169eaee2450b6aa PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 63 1.31 13 74 1.31 13 84 1.83 18 87 1.57 16 99 2.62 26 100 3.67 37 101 1.04 10 111 4.46 45 112 15.74 157 113 25.45 255 123 2.62 26 124 17.58 176 125 27.03 270 126 30.7 307 127 1.83 18 198 1.31 13 200 1.83 18 222 1.83 18 223 1.57 16 224 5.24 52 225 3.41 34 226 3.67 37 227 1.31 13 228 1.04 10 247 1.57 16 248 5.77 58 249 4.98 50 250 24.14 241 251 13.38 134 252 99.99 999 253 24.4 244 254 3.41 34 //