ACCESSION: MSBNK-EPA-ENTACT_AGILENT000281
RECORD_TITLE: 2-Amino-5-nitrobenzonitrile; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-02ai-1900000000-4f3e549459f0f7557efd
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  45.993452 26.147658 261
  64.019273 1.827516 18
  65.014522 1.163297 11
  115.030172 15.881193 158
  116.037997 44.374316 443
  132.032911 99.999996 999
  162.0309 59.143938 590
//