MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001606
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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$LINK: CAS
50-32-8
CH$LINK: INCHIKEY
FMMWHPNWAFZXNH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2020139
AC$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
//
system version 2.2.6-SNAPSHOT