ACCESSION: MSBNK-EPA-ENTACT_AGILENT001199
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

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$SPLASH: splash10-00di-0901000000-51ba44163093c8ac7a09
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  115.054227 2.128695 21
  127.054227 2.720323 27
  143.049141 1.650354 16
  145.064791 12.395684 123
  165.029468 3.01275 30
  171.044056 99.999999 999
  171.091675 2.133163 21
  309.086983 13.823865 138
//