ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006199
RECORD_TITLE: TRIBUTYL CITRATE; CI-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$NAME: TRIBUTYL CITRATE
CH$NAME: CITRIC ACID TRIBUTYL ESTER
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: INCHIKEY ZFOZVQLOBQUTQQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5051442

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-03di-0229000000-827486dc3af00774ea4f
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  102 1.14 11
  117 1.87 19
  129 10.56 106
  147 1.81 18
  157 1.02 10
  185 15.76 158
  186 1.71 17
  259 18.79 188
  260 2.92 29
  286 4.28 43
  298 2.48 25
  360 99.99 999
  361 19.62 196
  362 3.36 34
//