ACCESSION: MSBNK-EPA-ENTACT_AGILENT000091
RECORD_TITLE: 2-(Morpholin-4-yldithio)-1,3-benzothiazole; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0ap0-9300000000-5f5647a39351472496e5
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  30.033826 1.05968 10
  42.033826 5.039404 50
  44.049476 18.650536 186
  44.979347 1.094077 10
  46.994997 3.462818 34
  49.010647 1.658873 16
  55.041651 2.520041 25
  56.049476 38.000974 379
  57.033491 1.834421 18
  58.065126 4.998017 49
  58.994997 3.938311 39
  59.990246 99.999999 999
  60.031814 1.261395 12
  61.010647 27.423971 273
  62.005896 8.526849 85
  74.005896 3.499521 34
  74.06004 2.338825 23
  76.021546 1.140945 11
  84.04439 2.392034 23
  85.052215 2.065285 20
  86.06004 17.055213 170
  88.021546 53.732611 536
  89.005562 6.914437 69
  90.037196 19.670145 196
  91.041651 1.20308 12
  92.049476 1.956086 19
  108.002822 1.032037 10
  109.010647 1.303083 13
  118.032111 46.420965 463
  122.005896 1.564288 15
  123.01035 1.171148 11
  124.021546 1.374616 13
  134.005896 1.286995 12
  135.013721 3.256983 32
  136.021546 1.218742 12
  139.974893 2.668011 26
  165.977967 13.131496 131
  166.985792 22.220628 221
  167.993617 12.377948 123
  199.965688 2.004459 20
//