ACCESSION: MSBNK-EPA-ENTACT_AGILENT000093
RECORD_TITLE: 2-(Morpholin-4-yldithio)-1,3-benzothiazole; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-(Morpholin-4-yldithio)-1,3-benzothiazole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂N₂OS₃
CH$EXACT_MASS: 284.0111752099
CH$SMILES: C1CN(CCO1)SSC1=NC2C=CC=CC=2S1
CH$IUPAC: InChI=1S/C11H12N2OS3/c1-2-4-10-9(3-1)12-11(15-10)16-17-13-5-7-14-8-6-13/h1-4H,5-8H2
CH$LINK: CAS 95-32-9
CH$LINK: INCHIKEY QRYFCNPYGUORTK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7231

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

MS$FOCUSED_ION: PRECURSOR_M/Z 285.0184516616
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014r-1920000000-aabcebc40492268ea6c4
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  56.049476 1.877095 18
  59.990246 2.234317 22
  86.06004 19.636077 196
  88.021546 2.0688 20
  90.037196 1.833235 18
  118.032111 100 999
  118.068497 2.723826 27
  165.977967 1.038349 10
  167.993617 9.66545 96
  197.950038 1.16049 11
  199.965688 49.083719 490
  200.016461 1.072716 10
  285.018452 50.401491 503
//