MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011277
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011277
RECORD_TITLE: PERYLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PERYLENE
CH$NAME: DIBENZ(DE,KL)ANTHRACENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H12
CH$EXACT_MASS: 252.09390
CH$SMILES: c(c5)cc(c21)c(c54)c(ccc4)c(c3)c(c(cc3)ccc2)1
CH$IUPAC: InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H
CH$LINK: INCHIKEY
CSHWQDPOILHKBI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4047753
AC$INSTRUMENT: HITACHI M-80A
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-0190000000-8617dfdf4352ea7fce47
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
28 1.02 10
29 1.09 11
40 2.02 20
112 2.72 27
113 3.73 37
124 3.63 36
125 10.79 108
126 15.15 152
224 2.06 21
225 1.15 12
226 15.1 151
248 4.24 42
249 3.6 36
250 20.09 201
251 6.69 67
252 99.99 999
253 21.61 216
254 2.31 23
//
system version 2.2.8-SNAPSHOT