MassBank Record: MSBNK-EPA-ENTACT_AGILENT002460
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
//
system version 2.2.8-SNAPSHOT