ACCESSION: MSBNK-EPA-ENTACT_AGILENT001130
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

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$SPLASH: splash10-0fdk-9800000000-ee70a7279e8a9e4e69f7
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  43.017841 3.925138 39
  45.032149 5.433143 54
  46.039974 1.625803 16
  52.018175 8.343463 83
  59.990246 7.647221 76
  63.022927 1.130944 11
  63.994366 3.406288 34
  64.030752 11.708469 116
  65.026001 4.797291 47
  65.038577 2.076247 20
  68.979347 1.140881 11
  69.974596 3.648064 36
  69.987172 10.677311 106
  75.042713 2.905102 29
  77.034554 2.078728 20
  78.029803 2.300943 22
  79.019869 1.888953 18
  79.041651 10.778127 107
  80.049476 5.859331 58
  81.987172 7.628594 76
  91.041651 21.478423 214
  92.045453 2.203052 22
  92.979347 1.506608 15
  94.994997 2.597806 25
  96.002822 100.000002 999
  96.031814 1.799098 17
  96.04439 1.036867 10
  96.055624 1.137974 11
  105.970573 1.272293 12
  106.05255 4.331126 43
  108.002822 3.748358 37
  109.006625 2.090469 20
  110.005896 2.456954 24
  111.013721 3.797738 37
  118.05255 4.647611 46
  120.04439 2.018339 20
  122.005896 11.364608 113
  123.013721 58.655517 585
  132.998071 3.830075 38
  138.02462 5.096643 50
  149.016795 9.377496 93
  150.02462 97.980739 978
  150.042379 8.18104 81
  151.019869 1.388852 13
//