ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003332
RECORD_TITLE: TRIBUTYL 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

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052r-4930000000-28658e93d35f23f93d0f
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  43 10.1 101
  54 7 70
  55 11 110
  56 36.5 365
  59 2.5 25
  69 2.7 27
  84 3.8 38
  87 0.68 7
  101 1.1 11
  102 6.6 66
  111 9.5 95
  129 6.03 60
  130 3.3 33
  139 2.3 23
  147 7.5 75
  157 0.52 5
  158 3.3 33
  185 99.99 999
  186 9.7 97
  203 0.42 4
  259 50.7 507
  260 8.9 89
  261 1.3 13
  287 0.21 2
  361 3.1 31
//