MassBank Record: MSBNK-BAFG-CSL23111015829
ACCESSION: MSBNK-BAFG-CSL23111015829
RECORD_TITLE: Propyzamid; 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$NAME: Propyzamid
CH$COMPOUND_CLASS: Herbicide
CH$FORMULA: C12H11Cl2NO
CH$EXACT_MASS: 255.0218
CH$SMILES: CC(C)(C#C)NC(=O)c1cc(cc(c1)Cl)Cl
CH$IUPAC: InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)
CH$LINK: CAS
23950-58-5
CH$LINK: INCHIKEY
PHNUZKMIPFFYSO-UHFFFAOYSA-N
AC$INSTRUMENT: TripleTOF 6600 SCIEX
AC$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 12.435 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 256.0291
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: splash10-0596-4900000000-b818fbf2a40e2f779d65
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
37.0073 0.8 22
38.0153 0.8 22
39.023 5.1 141
41.0387 5.4 150
44.0132 11.2 311
50.0158 0.6 16
51.0228 1.2 33
65.0388 2.6 72
67.0547 1.5 41
73.0081 0.4 11
74.0149 8.3 230
75.023 2.1 58
84.9847 0.5 13
108.9841 35.9 999
109.9921 1.5 41
110.9994 2.6 72
139.005 1.1 30
144.9604 26.5 737
171.9705 0.7 19
172.9662 20.8 578
//