ACCESSION: MSBNK-EPA-ENTACT_AGILENT001692
RECORD_TITLE: 3-Pyridinamine; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3-Pyridinamine
CH$NAME: DTXSID9047461
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₆N₂
CH$EXACT_MASS: 94.0530982062
CH$SMILES: NC1=CN=CC=C1
CH$IUPAC: InChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2
CH$LINK: CAS 462-08-8
CH$LINK: INCHIKEY CUYKNJBYIJFRCU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:10009

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 40

MS$FOCUSED_ION: PRECURSOR_M/Z 95.0603746579
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udi-9000000000-8a84a6048de0e5fabcd8
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  28.018175 1.384699 13
  38.015101 1.229675 12
  39.022927 60.674419 606
  40.018175 1.533051 15
  40.030752 1.047773 10
  41.026001 5.700986 56
  41.038577 72.591654 725
  42.033826 32.701495 326
  50.015101 20.213757 201
  51.01035 1.12242 11
  51.022927 96.608102 965
  52.018175 99.999999 999
  52.030752 62.809401 627
  54.033826 14.060113 140
  66.033826 5.80361 57
  67.041651 15.75444 157
  68.049476 42.278398 422
  78.033826 75.646775 755
  79.041651 23.6403 236
  93.044725 1.781252 17
  95.060375 12.31433 123
//