ACCESSION: MSBNK-EPA-ENTACT_AGILENT000282
RECORD_TITLE: 2-Amino-5-nitrobenzonitrile; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Amino-5-nitrobenzonitrile
CH$NAME: DTXSID0038839
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅N₃O₂
CH$EXACT_MASS: 163.0381764263
CH$SMILES: NC1C=CC(=CC=1C#N)[N+]([O-])=O
CH$IUPAC: InChI=1S/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2
CH$LINK: CAS 17420-30-3
CH$LINK: INCHIKEY MGCGMYPNXAFGFA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:28532

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$FOCUSED_ION: PRECURSOR_M/Z 162.0308999746
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014j-9300000000-a6905db5448b8640c357
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  40.019273 1.830921 18
  45.993452 99.999996 999
  46.017261 2.53694 25
  46.029837 1.550233 15
  50.003623 5.085257 50
  63.011448 1.925929 19
  64.019273 42.740857 426
  65.014522 24.806013 247
  65.998537 1.884229 18
  74.003623 6.380155 63
  88.019273 17.352572 173
  89.014522 3.300693 32
  89.027098 1.510045 15
  115.030172 78.91082 788
  116.037997 6.044372 60
//