ACCESSION: MSBNK-EPA-ENTACT_AGILENT000824
RECORD_TITLE: 4,4'-Propane-1,3-diyldipyridine; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4,4'-Propane-1,3-diyldipyridine
CH$NAME: DTXSID6044852
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₄N₂
CH$EXACT_MASS: 198.1156984614
CH$SMILES: C(CCC1C=CN=CC=1)C1C=CN=CC=1
CH$IUPAC: InChI=1S/C13H14N2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h4-11H,1-3H2
CH$LINK: CAS 17252-51-6
CH$LINK: INCHIKEY OGNCVVRIKNGJHQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:87019

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 199.1229749131
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-1900000000-e103cf0dc779ca2b3993
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  93.057301 29.650411 296
  94.065126 1.396088 13
  106.065126 28.607866 285
  107.072951 11.346752 113
  199.122975 100.000001 999
//