ACCESSION: MSBNK-EPA-ENTACT_AGILENT002459
RECORD_TITLE: N-Butylphosphorothioic triamide; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-Butylphosphorothioic triamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₁₄N₃PS
CH$EXACT_MASS: 167.0646046888
CH$SMILES: CCCCNP(N)(N)=S
CH$IUPAC: InChI=1S/C4H14N3PS/c1-2-3-4-7-8(5,6)9/h2-4H2,1H3,(H5,5,6,7,9)
CH$LINK: CAS 94317-64-3
CH$LINK: INCHIKEY HEPPIYNOUFWEPP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:93502

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 166.0573282371
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-1900000000-281997d7a252cc07cde8
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  32.980444 1.121442 11
  60.996108 7.442961 74
  76.007007 10.956185 109
  92.968179 8.75467 87
  109.994728 2.786654 27
  132.069607 99.999997 999
  149.030779 2.715249 27
  166.057328 41.643006 416
//