MassBank Record: MSBNK-BAFG-CSL23111012585
ACCESSION: MSBNK-BAFG-CSL23111012585
RECORD_TITLE: Diphenylphosphinamide; LC-ESI-QTOF; MS2; 90 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$MASS_SPECTROMETRY: COLLISION_ENERGY 90
AC$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-e00ce885eb0ba12579be
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
45.9848 0.5 14
46.9688 1.2 34
49.0073 1.6 45
50.0154 11.5 326
51.0235 35.2 999
63.0245 0.5 14
63.9953 0.9 25
65.0397 0.4 11
67.9814 0.9 25
68.9888 3.3 93
74.0163 1 28
75.0237 0.8 22
76.0325 0.6 17
77.0391 14.7 417
78.0474 1.3 36
80.9916 0.4 11
89.0387 0.9 25
102.0472 1.1 31
107.0046 2.2 62
115.0543 1.1 31
126.0442 1.6 45
127.0536 1.2 34
128.0611 1.1 31
133.0208 0.5 14
139.0536 0.9 25
144.0108 0.5 14
150.0444 1 28
151.0559 2 56
152.0606 4 113
157.0197 0.5 14
170.0285 0.9 25
//
system version 2.2.6-SNAPSHOT