ACCESSION: MSBNK-EPA-ENTACT_AGILENT001329
RECORD_TITLE: UK-416244; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: UK-416244
CH$NAME: DTXSID0047290
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₂N₂O₃S₂
CH$EXACT_MASS: 366.1071840435
CH$SMILES: CC1=CC(=CC=C1SC)OC1=CC=C(C=C1CN(C)C)S(N)(=O)=O
CH$IUPAC: InChI=1S/C17H22N2O3S2/c1-12-9-14(5-8-17(12)23-4)22-16-7-6-15(24(18,20)21)10-13(16)11-19(2)3/h5-10H,11H2,1-4H3,(H2,18,20,21)
CH$LINK: CAS 402910-27-4
CH$LINK: INCHIKEY QIWQQMZFTOCFGF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9969177

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$FOCUSED_ION: PRECURSOR_M/Z 367.1144604952
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00b9-0093000000-cb4d2df65c46ce247039
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  44.049476 1.899329 18
  194.072616 3.985136 39
  195.080441 5.081288 50
  227.052512 1.289518 12
  241.068162 2.133121 21
  242.075987 24.887323 248
  260.03759 28.255559 282
  274.05324 22.35597 223
  275.061065 100.000001 999
  275.124631 2.234544 22
  275.151595 1.04458 10
  276.06889 1.112762 11
  307.033136 1.165163 11
  320.040961 1.363091 13
  322.056611 43.567834 435
  367.11446 26.282507 262
//