MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006076

CITRIC ACID TRIETHYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006076
RECORD_TITLE: CITRIC ACID TRIETHYL ESTER; 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

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CH$NAME: CITRIC ACID TRIETHYL ESTER
CH$NAME: TRIETHYL CITRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₇
CH$EXACT_MASS: 276.12090
CH$SMILES: CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC
CH$IUPAC: InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3
CH$LINK: INCHIKEY DOOTYTYQINUNNV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0040701

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4i-0910000000-9ead4713599bcc551b12
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  43 1.75 18
  87 1.88 19
  88 1.3 13
  111 4.52 45
  115 24.66 247
  116 1.47 15
  129 3.88 39
  130 2.52 25
  139 1.98 20
  157 99.99 999
  158 8.25 83
  159 1.09 11
  185 1.26 13
  203 22.77 228
  204 2.34 23
  213 1.95 20
  276 0.34 3
//