ACCESSION: MSBNK-EPA-ENTACT_AGILENT001128
RECORD_TITLE: 2-Amino-6-nitrobenzothiazole; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Amino-6-nitrobenzothiazole
CH$NAME: DTXSID3024491
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅N₃O₂S
CH$EXACT_MASS: 195.0102471563
CH$SMILES: NC1=NC2=CC=C(C=C2S1)[N+]([O-])=O
CH$IUPAC: InChI=1S/C7H5N3O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H,(H2,8,9)
CH$LINK: CAS 6285-57-0
CH$LINK: INCHIKEY GPNAVOJCQIEKQF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:22704

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$FOCUSED_ION: PRECURSOR_M/Z 196.017523608
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udi-0900000000-d785ac64669782a6c478
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  79.019869 2.340299 23
  101.026001 1.07501 10
  123.013721 2.706161 27
  138.02462 2.510485 25
  150.02462 99.999997 999
  166.019535 5.025191 50
  196.017524 15.623952 156
//