ACCESSION: MSBNK-EPA-ENTACT_AGILENT002471
RECORD_TITLE: 3-Amino-4-chlorobenzoic acid; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3-Amino-4-chlorobenzoic acid
CH$NAME: DTXSID8044414
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₆ClNO₂
CH$EXACT_MASS: 171.0087061534
CH$SMILES: NC1C=C(C=CC=1Cl)C(O)=O
CH$IUPAC: InChI=1S/C7H6ClNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
CH$LINK: CAS 2840-28-0
CH$LINK: INCHIKEY DMGFVJVLVZOSOE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:76092

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 40

MS$FOCUSED_ION: PRECURSOR_M/Z 170.0014297017
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-9000000000-9abaafa11e1102e9422e
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
34.969401 100.000003 999
50.003623 3.881941 38
//