ACCESSION: MSBNK-EPA-ENTACT_AGILENT001203
RECORD_TITLE: 3-Hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide; ESI-QTOF; MS2; CE: 40; [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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 309.0869833385
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-01b9-0900000000-1716e94e1f0167c65a78
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  79.041651 1.297501 12
  93.057301 1.71705 17
  115.054227 100.000002 999
  115.099165 1.568088 15
  117.069877 2.924472 29
  127.054227 14.559937 145
  137.034554 4.010749 40
  142.041316 1.642176 16
  143.049141 15.155894 151
  145.064791 2.063501 20
  165.029468 1.21027 12
  171.044056 90.149182 900
  171.091675 1.325681 13
//