ACCESSION: MSBNK-EPA-ENTACT_AGILENT000612
RECORD_TITLE: 3-(3-Pyridyl)-1-propanol; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3-(3-Pyridyl)-1-propanol
CH$NAME: DTXSID5022198
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁NO
CH$EXACT_MASS: 137.0840639806
CH$SMILES: OCCCC1=CN=CC=C1
CH$IUPAC: InChI=1S/C8H11NO/c10-6-2-4-8-3-1-5-9-7-8/h1,3,5,7,10H,2,4,6H2
CH$LINK: CAS 2859-67-8
CH$LINK: INCHIKEY ZUGAIMFLQLPTKB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:17861

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$FOCUSED_ION: PRECURSOR_M/Z 138.0913404323
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9300000000-f95f7c2ed84af7d37129
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  41.038577 1.065647 10
  65.038577 3.547525 35
  67.041651 1.643215 16
  67.054227 3.553877 35
  77.038577 1.201504 12
  78.033826 1.393451 13
  79.041651 4.063431 40
  80.049476 1.797627 17
  91.054227 1.061799 10
  92.049476 66.375016 663
  93.057301 99.999997 999
  94.065126 99.384972 992
  106.065126 15.331428 153
  107.072951 9.199342 91
  118.065126 2.348728 23
  120.080776 21.475795 214
  138.09134 70.221641 701
//