ACCESSION: MSBNK-EPA-ENTACT_AGILENT001204
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

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$SPLASH: splash10-0006-1900000000-689844048f1d681fffe2
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  41.998537 3.823109 38
  45.993452 15.369078 153
  90.034923 8.126695 81
  107.037662 12.08485 120
  114.047499 3.322066 33
  115.055324 10.630688 106
  133.016927 1.492737 14
  134.024752 3.988988 39
  137.035651 29.416653 293
  142.042413 2.632116 26
  143.050238 99.999999 999
  144.054041 1.872885 18
  168.045487 1.5335 15
  232.076788 1.288959 12
  233.060803 1.488227 14
  248.071702 1.465657 14
  260.071702 1.211545 12
  261.079527 4.779981 47
//