ACCESSION: MSBNK-EPA-ENTACT_AGILENT000092
RECORD_TITLE: 2-(Morpholin-4-yldithio)-1,3-benzothiazole; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-014i-2900000000-90c115a5823397c28109
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  44.049476 2.571543 25
  56.049476 4.787959 47
  59.990246 4.220715 42
  61.010647 3.551996 35
  74.06004 1.04606 10
  86.06004 8.958418 89
  88.021546 6.852571 68
  89.005562 2.351576 23
  90.037196 5.305496 53
  118.032111 99.999997 999
  118.068497 3.134229 31
  165.977967 3.553818 35
  166.985792 3.438387 34
  167.993617 10.532523 105
  197.950038 1.377865 13
  199.965688 18.678609 186
//