ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001730
RECORD_TITLE: 1,2,3-PROPENETRICARBOXYLIC ACID TRIBUTYL ESTER; EI-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$NAME: 1,2,3-PROPENETRICARBOXYLIC ACID TRIBUTYL ESTER
CH$NAME: TRIBUTYL ACONITATE (TRNS)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₀O₆
CH$EXACT_MASS: 342.20424
CH$SMILES: CCCCOC(=O)CC(C(=O)OCCCC)=C([H])C(=O)OCCCC
CH$IUPAC: InChI=1S/C18H30O6/c1-4-7-10-22-16(19)13-15(18(21)24-12-9-6-3)14-17(20)23-11-8-5-2/h13H,4-12,14H2,1-3H3/b15-13+
CH$LINK: INCHIKEY BANLNYYTSYHBAP-FYWRMAATSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0bt9-3920000000-4e69c67d56ff62dbef00
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  29 10.39 104
  41 14.2 142
  42 0.41 4
  55 1.9 19
  56 7.76 78
  57 91.11 911
  58 3.62 36
  75 1.05 11
  84 1.91 19
  85 0.61 6
  86 0.3 3
  101 0.47 5
  111 0.54 5
  112 99.99 999
  113 8.16 82
  114 1.61 16
  115 6.67 67
  122 0.31 3
  123 2.05 21
  128 0.51 5
  129 3.5 35
  130 4.16 42
  131 0.69 7
  138 7.98 80
  139 19.38 194
  140 3.43 34
  141 0.78 8
  142 0.44 4
  153 0.21 2
  156 60.04 600
  157 88.13 881
  158 7.11 71
  159 1.24 12
  166 2.44 24
  167 1.47 15
  168 13.21 132
  169 1.87 19
  170 0.5 5
  174 0.7 7
  175 0.61 6
  183 0.2 2
  184 0.75 8
  185 6.68 67
  186 2.47 25
  187 0.76 8
  194 0.47 5
  195 0.2 2
  196 0.55 6
  197 0.23 2
  211 1.02 10
  212 16.19 162
  213 26.55 266
  214 3.22 32
  215 0.52 5
  227 0.24 2
  229 0.2 2
  230 0.83 8
  231 2.46 25
  232 0.18 2
  240 0.68 7
  241 3.23 32
  242 2.26 23
  243 0.24 2
  268 4.26 43
  269 14.14 141
  270 2.3 23
  271 0.35 4
  286 0.57 6
  287 1.18 12
  342 0.89 9
  343 0.58 6
//