ACCESSION: MSBNK-EPA-ENTACT_AGILENT001200
RECORD_TITLE: 3-Hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3-Hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
CH$NAME: DTXSID3044544
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₂N₂O₄
CH$EXACT_MASS: 308.0797068868
CH$SMILES: [O-][N+](=O)C1=CC(=CC=C1)NC(=O)C1=CC2C=CC=CC=2C=C1O
CH$IUPAC: InChI=1S/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21)
CH$LINK: CAS 135-65-9
CH$LINK: INCHIKEY YZJSKRBKHCLMQC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:67277

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 20

MS$FOCUSED_ION: PRECURSOR_M/Z 307.0724304351
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-0109000000-04cc3adbed61468f4650
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  41.998537 1.484525 14
  45.993452 1.068174 10
  137.035651 5.497706 54
  143.050238 14.861609 148
  261.079527 2.567541 25
  307.07243 99.999999 999
//