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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006115

TRIMETHYLOLPROPANE TRIACRYLATE; CI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006115
RECORD_TITLE: TRIMETHYLOLPROPANE TRIACRYLATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: TRIMETHYLOLPROPANE TRIACRYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H20O6
CH$EXACT_MASS: 296.12599
CH$SMILES: C=CC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C
CH$IUPAC: InChI=1S/C15H20O6/c1-5-12(16)19-9-15(8-4,10-20-13(17)6-2)11-21-14(18)7-3/h5-7H,1-3,8-11H2,4H3
CH$LINK: INCHIKEY DAKWPKUUDNSNPN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0027773

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-004i-1190000000-09bba02f0f3804db924a
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  66 1.8 18
  68 4.54 45
  69 1.38 14
  71 1.14 11
  80 1.49 15
  81 4.39 44
  82 1.01 10
  83 1 10
  95 1.02 10
  96 1.15 12
  97 1.8 18
  99 1.19 12
  124 1.53 15
  127 2.42 24
  140 3.08 31
  152 3.15 32
  153 2.22 22
  169 1.08 11
  225 99.99 999
  226 12.89 129
  227 1.95 20
  297 0.97 10
//

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