MassBank Record: MSBNK-EPA-ENTACT_AGILENT001127

2-Amino-6-nitrobenzothiazole; ESI-QTOF; MS2; CE: 10; [M+H]+

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT001127
RECORD_TITLE: 2-Amino-6-nitrobenzothiazole; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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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

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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 10

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

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PK$SPLASH: splash10-0002-0900000000-2d8614eafdbfdb08e431
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  79.019869 1.008914 10
  96.002822 1.275597 12
  150.02462 26.461284 264
  196.017524 100.000002 999
//