ACCESSION: MSBNK-EPA-ENTACT_AGILENT002460
RECORD_TITLE: N-Butylphosphorothioic triamide; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-001i-9800000000-d828c72a0bc66e7ee22a
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  32.980444 2.973101 29
  58.980458 3.252137 32
  60.996108 35.396747 353
  76.007007 40.477353 404
  77.95728 3.006473 30
  89.014832 1.33304 13
  92.968179 21.666649 216
  109.994417 1.524433 15
  132.069607 100.000002 999
  149.030779 3.168395 31
  166.057328 1.074357 10
//