ACCESSION: MSBNK-EPA-ENTACT_AGILENT000924
RECORD_TITLE: 4-Cyanobenzoic acid; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Cyanobenzoic acid
CH$NAME: DTXSID9041659
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₅NO₂
CH$EXACT_MASS: 147.0320284115
CH$SMILES: N#CC1C=CC(=CC=1)C(O)=O
CH$IUPAC: InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)
CH$LINK: CAS 619-65-8
CH$LINK: INCHIKEY ADCUEPOHPCPMCE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12087

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$FOCUSED_ION: PRECURSOR_M/Z 146.0247519598
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udi-0900000000-471d7e8243bc6a8a49f2
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
102.034923 99.999996 999
146.024752 2.532735 25
//