ACCESSION: MSBNK-BAFG-CSL23111012581
RECORD_TITLE: Diphenylphosphinamide; LC-ESI-QTOF; MS2; 80 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$MASS_SPECTROMETRY: COLLISION_ENERGY 80
AC$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$SPLASH: splash10-0udi-9200000000-a60c6c980711f78476d3
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  45.9835 0.5 12
  46.9681 0.8 19
  49.0076 1.6 38
  50.0152 9.2 224
  51.0233 41 999
  65.0382 0.5 12
  67.9814 0.6 14
  68.989 3.7 90
  74.0144 0.5 12
  75.0243 0.7 17
  77.0386 27.1 660
  78.0469 1.1 26
  89.0387 0.7 17
  95.0039 0.9 21
  102.0461 1.3 31
  107.0045 2.6 63
  115.0537 2.2 53
  126.0454 0.9 21
  127.0542 1.8 43
  128.0631 2.5 60
  133.0191 0.8 19
  139.0542 1.1 26
  144.0121 0.6 14
  150.0462 0.5 12
  151.0566 2.2 53
  152.0625 6.1 148
  153.0692 0.8 19
  157.0184 1.3 31
  170.0297 1.5 36
  181.0211 0.7 17
//