ACCESSION: MSBNK-EPA-ENTACT_AGILENT000610
RECORD_TITLE: 3-(3-Pyridyl)-1-propanol; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0006-9100000000-7ad4171b371d136e878c
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  39.022927 4.127121 41
  40.030752 2.224029 22
  41.026001 1.622888 16
  41.038577 4.374935 43
  51.022927 2.091409 20
  52.030752 5.878462 58
  53.038577 2.14551 21
  54.033826 2.448514 24
  65.038577 20.599878 205
  66.046402 22.780883 227
  67.041651 22.180383 221
  77.038577 6.189982 61
  78.033826 10.981708 109
  79.041651 18.58995 185
  80.049476 2.510327 25
  91.054227 1.076988 10
  92.049476 41.326778 412
  93.057301 100.000004 999
  94.065126 5.03552 50
  106.065126 39.948283 399
  118.065126 1.400695 13
//