MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012354

PYRENE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012354
RECORD_TITLE: PYRENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

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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

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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

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PK$SPLASH: splash10-0udi-0090000000-838134ca9d5c1b6a304a
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  202 21.67 217
  203 99.99 999
  204 16.62 166
  205 1.49 15
  231 19.54 195
  232 3.72 37
  243 3.66 37
//