ACCESSION: MSBNK-EPA-ENTACT_AGILENT001126
RECORD_TITLE: 2-Amino-6-nitrobenzothiazole; ESI-QTOF; MS2; CE: 40; [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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 194.0029707046
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-9400000000-9fbb9dc69fa4988951d4
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  41.014522 2.177947 21
  41.998537 1.757056 17
  44.980444 7.797502 77
  45.993452 9.208868 91
  50.003623 4.273029 42
  56.980444 17.659321 176
  57.975693 100 999
  58.004685 2.200475 21
  58.017261 1.121307 11
  64.019273 3.059144 30
  65.014522 2.219414 22
  65.998537 1.286608 12
  70.983518 1.538146 15
  80.980444 2.939367 29
  81.975693 1.740574 17
  88.019273 1.223708 12
  104.980444 3.635506 36
  105.988269 1.913468 19
  106.996094 30.361924 303
  107.991343 3.158977 31
  115.030172 8.649678 86
  116.037997 6.454296 64
  120.999168 6.928483 69
  132.032911 6.649631 66
  135.002242 1.227178 12
  135.986258 1.095848 10
  147.002242 2.342693 23
  148.010067 7.402548 73
  162.0309 2.714598 27
//