ACCESSION: MSBNK-EPA-ENTACT_AGILENT000361
RECORD_TITLE: 6-Chloro-2-picolinic acid; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 6-Chloro-2-picolinic acid
CH$NAME: DTXSID7040289
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₄ClNO₂
CH$EXACT_MASS: 156.9930560896
CH$SMILES: OC(=O)C1C=CC=C(Cl)N=1
CH$IUPAC: InChI=1S/C6H4ClNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)
CH$LINK: CAS 4684-94-0
CH$LINK: INCHIKEY ZLKMOIHCHCMSFW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:20812

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$FOCUSED_ION: PRECURSOR_M/Z 158.0003325413
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-9000000000-3144676695ffd8a3ce09
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  45.992355 3.451006 34
  47.00018 27.418995 273
  47.999451 9.122574 91
  48.971378 5.249202 52
  61.007276 9.289757 92
  62.015101 9.816513 98
  62.987028 4.130534 41
  63.022927 3.803597 37
  63.994853 100 999
  64.030752 2.393984 23
  65.002191 32.380369 323
  65.99744 1.14359 11
  76.018175 11.531275 115
  79.017841 20.218552 201
  80.025666 16.394704 163
  84.983954 1.288886 12
  111.994853 5.591493 55
//