MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004838
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004838
RECORD_TITLE: PYRENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: PYRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H10
CH$EXACT_MASS: 202.07825
CH$SMILES: c(c4)cc(c3)c(c41)c(c2c3)c(ccc2)cc1
CH$IUPAC: InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
CH$LINK: CAS
129-00-0
CH$LINK: INCHIKEY
BBEAQIROQSPTKN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3024289
AC$INSTRUMENT: JEOL JMS-D-3000
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-0390000000-aed9be9c54a99a10a772
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
58 1.35 14
73 1.67 17
74 1.02 10
75 1.69 17
87 3.22 32
88 4.93 49
99 2.25 23
100 14.81 148
101 21.77 218
102 3.63 36
150 1.38 14
167 1.3 13
174 1.8 18
175 1.43 14
198 2.01 20
199 3.28 33
200 17.71 177
201 15.08 151
202 99.99 999
203 17.5 175
204 1.67 17
//