ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001728
RECORD_TITLE: 2-HYDROXY-1,2,3-PROPANETRICARBOXYLIC ACIDTRIBUTYL 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$NAME: 2-HYDROXY-1,2,3-PROPANETRICARBOXYLIC ACIDTRIBUTYL ESTER
CH$NAME: TRIBUTYL CITRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₂O₇
CH$EXACT_MASS: 360.21480
CH$SMILES: CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC
CH$IUPAC: InChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3
CH$LINK: COMPTOX DTXSID5051442
CH$LINK: INCHIKEY ZFOZVQLOBQUTQQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6507

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$SPLASH: splash10-08fr-0289000000-5f33fa6960e4a3c2ab6b
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  61 0.97 10
  67 0.47 5
  69 0.6 6
  73 0.64 6
  111 0.59 6
  117 1.46 15
  129 7.1 71
  147 1.02 10
  157 1.3 13
  185 22.3 223
  186 2.83 28
  187 0.53 5
  203 1.23 12
  213 2.22 22
  215 0.19 2
  225 1.63 16
  231 0.85 9
  243 1.01 10
  245 0.78 8
  259 81.95 820
  260 11.13 111
  261 1.43 14
  269 2.34 23
  271 0.78 8
  287 8.51 85
  288 1.18 12
  299 2 20
  305 0.98 10
  343 1.15 12
  345 0.7 7
  359 0.35 4
  361 99.99 999
  362 19.5 195
  363 3.3 33
  364 0.22 2
  399 2.11 21
//