MassBank Record: MSBNK-BAFG-CSL23111015839
ACCESSION: MSBNK-BAFG-CSL23111015839
RECORD_TITLE: Methacrylamidopropyltrimethylammonium; LC-ESI-QTOF; MS2; 40 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$NAME: Methacrylamidopropyltrimethylammonium
CH$COMPOUND_CLASS: Industrial_process; Personal_care_product
CH$FORMULA: C10H21N2O+
CH$EXACT_MASS: 185.1648
CH$SMILES: CC(=C)C(=O)NCCC[N+](C)(C)C
CH$IUPAC: InChI=1S/C10H20N2O/c1-9(2)10(13)11-7-6-8-12(3,4)5/h1,6-8H2,2-5H3/p+1
CH$LINK: CAS
51441-64-6
CH$LINK: INCHIKEY
VZTGWJFIMGVKSN-UHFFFAOYSA-O
AC$INSTRUMENT: TripleTOF 5600 SCIEX
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$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 4.698 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 185.1648
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1
PK$SPLASH: splash10-014l-9000000000-afa27ea894d211a90ba7
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
37.0069 0.2 58
38.0166 0.1 29
39.0234 1.2 352
41.0389 2.2 646
44.0487 0.1 29
58.065 0.1 29
69.0326 3.4 999
98.0578 0.4 117
126.09 0.3 88
//