MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003331

TRIETHYL CITRATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003331
RECORD_TITLE: TRIETHYL CITRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

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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$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4i-1920000000-f7c884b67f54e12797d9
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  45 3.2 32
  55 3.7 37
  59 4.1 41
  69 4.6 46
  84 3.6 36
  87 6.4 64
  88 3.7 37
  111 0.69 7
  115 29.2 292
  129 5.5 55
  130 3.9 39
  139 0.27 3
  157 99.99 999
  158 6.5 65
  203 33.7 337
  204 0.34 3
  277 3.4 34
//