MassBank Record: MSBNK-BAFG-CSL2311108722
ACCESSION: MSBNK-BAFG-CSL2311108722
RECORD_TITLE: 2-Methoxyethyl-N-(3-aminophenyl)carbamate; LC-ESI-QTOF; MS2; 80 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$MASS_SPECTROMETRY: COLLISION_ENERGY 80
AC$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: splash10-014l-9000000000-5e86c3ac4cf9bd657e37
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
45.0459 0.5 86
59.059 1.5 258
65.0452 5.8 999
66.0505 1 172
80.0534 1.7 292
81.0628 0.5 86
90.0385 1.7 292
91.0497 0.7 120
92.0522 1.1 189
93.0615 1.5 258
//