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MassBank Record: AU506008

3-(Trimethoxysilyl)propyl methacrylate; GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: AU506008
RECORD_TITLE: 3-(Trimethoxysilyl)propyl methacrylate; GC-APCI-QTOF; MS2; CE: 30 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 5060

CH$NAME: 3-(Trimethoxysilyl)propyl methacrylate
CH$COMPOUND_CLASS: N/A; Food Contact Material
CH$FORMULA: C10H20O5Si
CH$EXACT_MASS: 248.1080
CH$SMILES: CC(=C)C(=O)OCCC[Si](OC)(OC)OC
CH$IUPAC: InChI=1S/C10H20O5Si/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5/h1,6-8H2,2-5H3
CH$LINK: CAS 2530-85-0
CH$LINK: PUBCHEM CID:17318
CH$LINK: INCHIKEY XDLMVUHYZWKMMD-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER 16388

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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
AC$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 11.567 min
AC$CHROMATOGRAPHY: SOLVENT A Helium

MS$FOCUSED_ION: BASE_PEAK 217.0885
MS$FOCUSED_ION: PRECURSOR_M/Z 248.1075
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$SPLASH: splash10-004r-0900000000-5d5888947a076c8241be
PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
  109.0317 C2H9O3Si+ 1 109.0315 1.75
  111.0109 CH7O4Si+ 1 111.0108 0.53
  121.0337 C3H9O3Si+ 1 121.0315 17.91
  125.0264 C2H9O4Si+ 2 125.0265 -0.84
  126.028 C6H6O3+ 1 126.0311 -24.97
  131.0136 C8H3O2+ 2 131.0128 6.17
  132.9963 C3H5O4Si+ 1 132.9952 8.35
  133.0324 C4H9O3Si+ 1 133.0315 6.42
  137.0277 C3H9O4Si+ 1 137.0265 9.13
  139.0431 C3H11O4Si+ 1 139.0421 6.96
  141.0398 C6H9O2Si+ 1 141.0366 22.49
  143.0395 C2H11O5Si+ 1 143.037 17.01
  145.0332 C5H9O3Si+ 1 145.0315 11.44
  147.0144 C4H7O4Si+ 1 147.0108 24.19
  147.047 C5H11O3Si+ 2 147.0472 -1.65
  149.0268 C4H9O4Si+ 2 149.0265 2.51
  152.0164 C3H8O5Si+ 1 152.0136 18.94
  153.0236 C3H9O5Si+ 1 153.0214 14.43
  160.0206 C5H8O4Si+ 1 160.0186 12.42
  161.0303 C5H9O4Si+ 1 161.0265 23.79
  162.0341 C5H10O4Si+ 2 162.0343 -1.38
  163.0078 C4H7O5Si+ 1 163.0057 12.94
  163.0442 C5H11O4Si+ 1 163.0421 12.87
  165.0591 C5H13O4Si+ 1 165.0578 7.87
  175.0436 C6H11O4Si+ 1 175.0421 8.28
  177.0233 C5H9O5Si+ 1 177.0214 11.08
  177.059 C6H13O4Si+ 2 177.0578 7.06
  178.0294 C5H10O5Si+ 2 178.0292 1.35
  179.0405 C5H11O5Si+ 1 179.037 19.14
  180.0464 C5H12O5Si+ 1 180.0449 8.47
  191.0389 C6H11O5Si+ 1 191.037 9.91
  192.0388 C10H8O4+ 1 192.0417 -15.35
  192.0494 C6H12O5Si+ 1 192.0449 23.5
  193.0537 C6H13O5Si+ 2 193.0527 5.53
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  109.0317 120 41
  111.0109 188 65
  121.0337 132 46
  125.0264 1460 510
  126.028 200 69
  131.0136 104 36
  132.9963 176 61
  133.0324 164 57
  137.0277 116 40
  139.0431 2856 999
  141.0398 104 36
  143.0395 124 43
  145.0332 224 78
  147.0144 196 68
  147.047 124 43
  149.0268 220 76
  152.0164 124 43
  153.0236 216 75
  160.0206 136 47
  161.0303 372 130
  162.0341 132 46
  163.0078 232 81
  163.0442 112 39
  165.0591 172 60
  175.0436 172 60
  177.0233 1468 513
  177.059 220 76
  178.0294 260 90
  179.0405 472 165
  180.0464 288 100
  191.0389 796 278
  192.0388 228 79
  192.0494 208 72
  193.0537 384 134
//

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