ACCESSION: MSBNK-EPA-ENTACT_AGILENT001125
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

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$SPLASH: splash10-0007-1900000000-00fb9713fcf7fa9b0163
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  44.980444 5.490629 54
  45.993452 7.89023 78
  50.003623 1.738619 17
  57.975693 33.19884 331
  88.970274 3.812353 38
  115.030172 3.553369 35
  120.999168 4.588707 45
  130.017261 3.454333 34
  132.032911 2.748 27
  135.002242 1.07476 10
  136.010067 1.256989 12
  136.994083 1.852827 18
  147.002242 3.363266 33
  148.010067 60.62028 605
  148.994083 1.263101 12
  162.0309 31.837253 318
  162.997157 6.244416 62
  164.004982 15.08534 150
  164.988998 1.249616 12
  166.992072 4.670841 46
  177.000231 11.295173 112
  194.002971 99.999999 999
//