MassBank Record: MSBNK-Athens_Univ-AU500901
ACCESSION: MSBNK-Athens_Univ-AU500901
RECORD_TITLE: Ethylene glycol dimethacrylate; GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
DATE: 2021.04.19
AUTHORS: Chrysoula Kanakaki, Nikiforos Alygizakis, Nikolaos Thomaidis, University of Athens
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2021 Department of Chemistry, University of Athens
COMMENT: CONFIDENCE standard compound
COMMENT: INTERNAL_ID 5009
CH$NAME: Ethylene glycol dimethacrylate
CH$COMPOUND_CLASS: N/A; Food Contact Material
CH$FORMULA: C10H14O4
CH$EXACT_MASS: 198.0892
CH$SMILES: CC(=C)C(=O)OCCOC(=O)C(=C)C
CH$IUPAC: InChI=1S/C10H14O4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4/h1,3,5-6H2,2,4H3
CH$LINK: CAS
97-90-5
CH$LINK: CHEBI
53378
CH$LINK: PUBCHEM
CID:7355
CH$LINK: INCHIKEY
STVZJERGLQHEKB-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER
7077
AC$INSTRUMENT: Bruker 450 GC coupled to maXis Impact
AC$INSTRUMENT_TYPE: GC-APCI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION APCI
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV
AC$MASS_SPECTROMETRY: RESOLUTION 35000
AC$CHROMATOGRAPHY: COLUMN_NAME Rxi-5Sil MS column, 30m, 0.25mm i.d., 0.25µm film thickness, Restek
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE_GRADIENT 55oC at 0 min, 55oC at 3 min, 180oC at 11.33 min with 15oC/min, 280oC at 26.72 min with 6.5oC/min, 280oC at 31.72 min, 300oC at 33.72 min with 10oC/min, 300oC at 39 min
AC$CHROMATOGRAPHY: FLOW_RATE 1.5 mL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 11.227 min
AC$CHROMATOGRAPHY: SOLVENT A Helium
MS$FOCUSED_ION: BASE_PEAK 257.2466
MS$FOCUSED_ION: PRECURSOR_M/Z 199.0965
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: RECALIBRATE identity on assigned fragments and MS1
MS$DATA_PROCESSING: WHOLE RMassBank 2.16.0
PK$SPLASH: splash10-000i-0900000000-d70826dea1d6a762aab5
PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
135.1175 C10H15+ 1 135.1168 5.23
151.1135 C10H15O+ 1 151.1117 11.73
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
135.1175 252 999
151.1135 100 396
//