ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006077
RECORD_TITLE: CITRIC ACID TRIBUTYL 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

CH$NAME: CITRIC ACID TRIBUTYL ESTER
CH$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: INCHIKEY ZFOZVQLOBQUTQQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5051442

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000i-0920000000-1ae52048a4fafbd71d59
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  57 4.69 47
  87 1.44 14
  102 1.89 19
  111 3.34 33
  129 45.26 453
  130 2.78 28
  133 1.32 13
  139 1.13 11
  147 6.47 65
  157 3.17 32
  158 2.83 28
  185 99.99 999
  186 10.24 102
  187 1.29 13
  203 3.12 31
  213 1.11 11
  259 36.24 362
  260 5.48 55
  287 0.78 8
  360 0.29 3
//