ACCESSION: MSBNK-BAFG-CSL23111012586
RECORD_TITLE: Diphenylphosphinamide; LC-ESI-QTOF; MS2; 100 V
DATE: 2023.11.10
AUTHORS: Kevin S. Jewell; Björn Ehlig; Arne Wick
LICENSE: dl-de/by-2-0
COPYRIGHT: Copyright 2023 Federal Institute of Hydrology, Koblenz, Germany
COMMENT: CONFIDENCE Reference Standard (Level 1)
COMMENT: Chromatography method: dx.doi.org/10.1016/j.chroma.2015.11.014
COMMENT: Acquisition method: 10.1002/rcm.8541

CH$NAME: Diphenylphosphinamide
CH$COMPOUND_CLASS:
CH$FORMULA: C₁₂H₁₂NOP
CH$EXACT_MASS: 217.0657
CH$SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)N
CH$IUPAC: InChI=1S/C12H12NOP/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,13,14)
CH$LINK: CAS 5994-87-6
CH$LINK: INCHIKEY RIGIWEGXTTUCIQ-UHFFFAOYSA-N

AC$INSTRUMENT: TripleTOF 5600 SCIEX
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 100
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: COLUMN_NAME Zorbax Eclipse Plus C18 2.1 mm x 150 mm, 3.5 um, Agilent
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 °C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 0 min min 98% A, 1 min 98% A, 2 min 80% A, 16.5 min 2% A, 22 min 2% A, 22.1 min 98% A, 27 min 98% A
AC$CHROMATOGRAPHY: FLOW_RATE 0.3 mL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 7.411 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 218.0729
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1

PK$SPLASH: splash10-0udi-9100000000-ad88a8e8e2769dfda0c6
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  45.9846 0.9 32
  46.9683 1.6 57
  49.0075 2.4 85
  50.0156 12.9 461
  51.0235 27.9 999
  63.0222 0.7 25
  63.9955 0.7 25
  65.0385 0.4 14
  67.9808 1 35
  68.9893 1.7 60
  74.0155 1.4 50
  75.0219 0.5 17
  76.0302 0.5 17
  77.0386 8.4 300
  78.0462 0.6 21
  89.0394 0.6 21
  102.0467 1 35
  107.0042 1.3 46
  115.0546 0.6 21
  126.0465 0.8 28
  127.0545 0.5 17
  150.0438 0.8 28
  151.0524 0.7 25
  152.0636 1.5 53
//