MassBank Record: MSBNK-BAFG-CSL23111012580
ACCESSION: MSBNK-BAFG-CSL23111012580
RECORD_TITLE: Diphenylphosphinamide; LC-ESI-QTOF; MS2; 50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50
AC$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-9610000000-1cb93492f11378a38515
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
50.015 1.8 14
51.0233 13.9 109
68.9886 2.9 22
77.0391 126.5 999
95.0051 17.8 140
107.0052 2.4 18
115.0547 2.3 18
123.0002 4.1 32
127.0547 1.6 12
128.0626 14 110
129.0705 8.6 67
133.021 9.3 73
141.0713 3.4 26
145.022 1.5 11
147.037 2.3 18
152.0628 4.8 37
153.0704 9.9 78
154.0787 7.1 56
157.0203 1.8 14
170.0272 5.2 41
171.0366 19.9 157
173.0524 12.2 96
183.0364 12 94
199.0308 1.5 11
201.0466 20.8 164
//