ACCESSION: MSBNK-EPA-ENTACT_AGILENT001087
RECORD_TITLE: 4-Hydroxybenzonitrile; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Hydroxybenzonitrile
CH$NAME: DTXSID9052509
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅NO
CH$EXACT_MASS: 119.0371137892
CH$SMILES: N#CC1C=CC(O)=CC=1
CH$IUPAC: InChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
CH$LINK: CAS 767-00-0
CH$LINK: INCHIKEY CVNOWLNNPYYEOH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:13019

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$FOCUSED_ION: PRECURSOR_M/Z 118.0298373375
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-0900000000-187f1ac255aa4f7c00bf
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
90.034923 3.893519 38
118.029837 100.000001 999
//