ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001729
RECORD_TITLE: 2-ACETYLOXY-1,2,3-PROPANETRICARBOXYLIC ACID TRIBUTYL ESTER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 2-ACETYLOXY-1,2,3-PROPANETRICARBOXYLIC ACID TRIBUTYL ESTER
CH$NAME: ACETYL TRIBUTYL CITRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₄O₈
CH$EXACT_MASS: 402.22537
CH$SMILES: CCCCOC(=O)CC(OC(C)=O)(CC(=O)OCCCC)C(=O)OCCCC
CH$IUPAC: InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3
CH$LINK: INCHIKEY QZCLKYGREBVARF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2026446

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0ufr-2159500000-62a9419892ec76844eb8
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  61 16.43 164
  63 4.37 44
  65 8.28 83
  66 12.72 127
  67 3.95 40
  69 0.43 4
  83 2.43 24
  85 2.79 28
  129 5.83 58
  157 10.42 104
  159 2.99 30
  185 17.18 172
  213 16.84 168
  215 5.06 51
  259 26.25 263
  269 26.6 266
  271 13.97 140
  273 14.01 140
  329 95.56 956
  330 16.99 170
  343 19.3 193
  345 16.95 170
  361 30.82 308
  362 4.7 47
  403 99.99 999
  404 21.54 215
//