ACCESSION: MSBNK-BAFG-CSL23111012591
RECORD_TITLE: Diphenylphosphinamide; LC-ESI-QTOF; MS2; 40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$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$SPLASH: splash10-0udi-5890000000-5ad08a95e405cf5249bf
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  50.0157 1.7 13
  51.0237 6.5 51
  68.9889 1.7 13
  77.0393 60.8 483
  95.0052 12.2 97
  115.0532 1.4 11
  123.0002 5.7 45
  127.0539 1.4 11
  128.0623 10.9 86
  129.071 7.1 56
  133.0199 6.4 50
  141.0708 2 15
  147.0363 1.7 13
  152.062 3.2 25
  153.071 4.5 35
  154.0783 8.3 66
  170.0279 3.4 27
  171.0362 17.1 136
  173.0523 29.7 236
  183.0354 10.8 85
  199.031 1.6 12
  201.0473 125.5 999
  218.0723 3.1 24
//