ACCESSION: MSBNK-Athens_Univ-AU500308
RECORD_TITLE: Vinyltriethoxysilane; GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M]+
DATE: 2021.04.20
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 5003

CH$NAME: Vinyltriethoxysilane
CH$COMPOUND_CLASS: N/A; Food Contact Material
CH$FORMULA: C₈H₁₈O₃Si
CH$EXACT_MASS: 190.1025
CH$SMILES: CCO[Si](C=C)(OCC)OCC
CH$IUPAC: InChI=1S/C8H18O3Si/c1-5-9-12(8-4,10-6-2)11-7-3/h8H,4-7H2,1-3H3
CH$LINK: CAS 78-08-0
CH$LINK: PUBCHEM CID:6516
CH$LINK: INCHIKEY FWDBOZPQNFPOLF-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER 6269

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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV
AC$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 8.115 min
AC$CHROMATOGRAPHY: SOLVENT A Helium

MS$FOCUSED_ION: BASE_PEAK 263.9854
MS$FOCUSED_ION: PRECURSOR_M/Z 190.102
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
MS$DATA_PROCESSING: RECALIBRATE identity on assigned fragments and MS1
MS$DATA_PROCESSING: WHOLE RMassBank 2.16.0

PK$SPLASH: splash10-001i-0900000000-0f1c29542adad6e1ffd3
PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
133.047 C8H9Si+ 1 133.0468 1.8
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
133.047 116 999
//