MassBank Record: MSBNK-BAFG-CSL2311108723
ACCESSION: MSBNK-BAFG-CSL2311108723
RECORD_TITLE: 2-Methoxyethyl-N-(3-aminophenyl)carbamate; LC-ESI-QTOF; MS2; 30 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$NAME: 2-Methoxyethyl-N-(3-aminophenyl)carbamate
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C10H14N2O3
CH$EXACT_MASS: 210.1004
CH$SMILES: COCCOC(=O)NC1=CC=CC(=C1)N
CH$IUPAC: InChI=1S/C10H14N2O3/c1-14-5-6-15-10(13)12-9-4-2-3-8(11)7-9/h2-4,7H,5-6,11H2,1H3,(H,12,13)
CH$LINK: CAS
1095601-63-0
CH$LINK: INCHIKEY
ZBYDMKPFQILQOD-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$MASS_SPECTROMETRY: COLLISION_ENERGY 30
AC$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 4.802 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 211.1077
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: splash10-000i-6900000000-69d33dfc2add2ee54886
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
45.0476 0.9 13
59.0577 24.2 352
65.0452 2.3 33
77.0646 2.8 40
80.0538 1.5 21
90.0385 1.1 16
92.0528 26 378
93.0604 4.5 65
106.0627 0.8 11
107.0621 7.8 113
109.0778 1.2 17
135.056 68.6 999
179.0817 9.2 133
//