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MassBank Record: MSBNK-EPA-ENTACT_AGILENT001040

Salicylaldehyde oxime; ESI-QTOF; MS2; CE: 10; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT001040
RECORD_TITLE: Salicylaldehyde oxime; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Salicylaldehyde oxime
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7NO2
CH$EXACT_MASS: 137.0476784753
CH$SMILES: OC1=CC=CC=C1CN=O
CH$IUPAC: InChI=1S/C7H7NO2/c9-7-4-2-1-3-6(7)5-8-10/h1-4,9H,5H2
CH$LINK: CAS 94-67-7
CH$LINK: INCHIKEY PUNVNOQWQQPNES-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6740756

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$FOCUSED_ION: PRECURSOR_M/Z 136.0404020236
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-1900000000-771a0f12698b8af7496d
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  41.998537 1.870979 18
  65.003288 1.07105 10
  90.034923 1.654696 16
  91.018938 16.71105 166
  106.042413 12.640649 126
  116.014187 1.722329 17
  118.029837 99.999997 999
  136.040402 3.303133 32
//

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