ACCESSION: MSBNK-EPA-ENTACT_AGILENT002461
RECORD_TITLE: N-Butylphosphorothioic triamide; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-03di-9000000000-36b82c0c3f6dd88a2acd
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  32.980444 1.63352 16
  46.983518 1.019617 10
  47.991343 2.491048 24
  58.980458 21.932756 219
  59.988283 6.378154 63
  60.996108 100.000003 999
  61.02126 1.518832 15
  76.007007 37.153889 371
  76.949455 1.685997 16
  77.95728 10.322867 103
  92.968179 18.414518 183
//