MassBank Record: MSBNK-BAFG-CSL23111012587
ACCESSION: MSBNK-BAFG-CSL23111012587
RECORD_TITLE: Diphenylphosphinamide; LC-ESI-QTOF; MS2; 60 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$MASS_SPECTROMETRY: COLLISION_ENERGY 60
AC$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: splash10-004i-9400000000-f55d7220f7dae366621b
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
49.008 1.1 13
50.0154 4.5 54
51.0234 24.7 298
68.9892 4.1 49
77.0393 82.8 999
95.005 9.2 111
107.0043 2.2 26
115.0541 3 36
127.0545 2.1 25
128.062 8.3 100
129.0694 2.3 27
133.0196 5.3 63
139.0539 1 12
141.0694 2 24
145.0204 1.1 13
147.0375 0.8 9
151.0549 1.1 13
152.0634 8.9 107
153.0697 6.7 80
154.078 1.9 22
157.0199 2.6 31
170.0288 6.2 74
171.0362 4.3 51
183.0352 3.6 43
201.0494 1 12
//