ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003334
RECORD_TITLE: TRIBUTYL 2-CARBOXYMETHYL-1,2,3-PROPANE TRICARBOXYLATE; 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$NAME: TRIBUTYL 2-CARBOXYMETHYL-1,2,3-PROPANE TRICARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₄O₈
CH$EXACT_MASS: 402.22537
CH$SMILES: CCCCOC(=O)CC(CC(O)=O)(CC(=O)OCCCC)C(=O)OCCCC
CH$IUPAC: InChI=1S/C20H34O8/c1-4-7-10-26-17(23)14-20(13-16(21)22,19(25)28-12-9-6-3)15-18(24)27-11-8-5-2/h4-15H2,1-3H3,(H,21,22)
CH$LINK: INCHIKEY MEGBKXNZEWVUBQ-UHFFFAOYSA-N

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$SPLASH: splash10-0a4u-9741000000-56e6f9e6a83d6d6abfb1
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  43 99.99 999
  44 56 560
  45 4.4 44
  50 2.7 27
  51 2.3 23
  53 3.1 31
  54 18.9 189
  55 4.53 45
  56 56.8 568
  57 2.5 25
  59 3.9 39
  60 0.37 4
  64 3.1 31
  66 3.3 33
  69 2.9 29
  72 0.27 3
  84 6.4 64
  85 3.1 31
  87 5.2 52
  101 0.25 3
  102 5.8 58
  103 5.3 53
  111 7 70
  112 2.26 23
  113 7.6 76
  115 2.3 23
  129 47.2 472
  130 0.33 3
  138 3.9 39
  139 13.8 138
  140 2.3 23
  141 0.31 3
  142 3.7 37
  147 6.2 62
  156 13.2 132
  157 2.63 26
  158 7.4 74
  168 3.5 35
  185 93.3 933
  186 1.05 11
  203 4.6 46
  212 6.4 64
  213 12.6 126
  217 0.52 5
  241 2.3 23
  259 90.4 904
  260 12.3 123
  268 0.44 4
  269 8.7 87
  273 7.4 74
  301 4.1 41
  302 0.6 6
  329 18.5 185
  330 3.7 37
  342 3.7 37
  343 0.23 2
  347 1.9 19
  403 2.1 21
//