ACCESSION: MSBNK-EPA-ENTACT_AGILENT002277
RECORD_TITLE: 4-Chloropyridine 1-oxide; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Chloropyridine 1-oxide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₄ClNO
CH$EXACT_MASS: 128.9981414673
CH$SMILES: [O-][N+]1C=CC(Cl)=CC=1
CH$IUPAC: InChI=1S/C5H4ClNO/c6-5-1-3-7(8)4-2-5/h1-4H
CH$LINK: CAS 1121-76-2
CH$LINK: INCHIKEY DPJVRASYWYOFSJ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:70724

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 127.9908650156
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-0900000000-17ab0b8999b07f865d49
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
34.969401 8.805187 87
127.990865 100.000004 999
//