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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005841

TRIPROPIONIN; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005841
RECORD_TITLE: TRIPROPIONIN; EI-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$NAME: TRIPROPIONIN
CH$NAME: GLYCEROL TRIPROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O6
CH$EXACT_MASS: 260.12599
CH$SMILES: CCC(=O)OCC(COC(=O)CC)OC(=O)CC
CH$IUPAC: InChI=1S/C12H20O6/c1-4-10(13)16-7-9(18-12(15)6-3)8-17-11(14)5-2/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY YZWRNSARCRTXDS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8051702

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9400000000-a0a6aa29bbc356c63931
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  29 1.84 18
  56 1.24 12
  57 99.99 999
  58 2.59 26
  87 1 10
  113 1 10
  114 1.68 17
  117 4.83 48
  129 10.01 100
  130 6.02 60
  131 3.17 32
  173 19.17 192
  174 1.8 18
  187 5.05 51
//

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