ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001732
RECORD_TITLE: 1,2,3-PROPANETRICARBOXYLIC 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$NAME: 1,2,3-PROPANETRICARBOXYLIC ACID TRIBUTYL ESTER
CH$NAME: TRICARBALLYLIC ACID TRIBUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₂O₆
CH$EXACT_MASS: 344.21989
CH$SMILES: CCCCOC(=O)CC(CC(=O)OCCCC)C(=O)OCCCC
CH$IUPAC: InChI=1S/C18H32O6/c1-4-7-10-22-16(19)13-15(18(21)24-12-9-6-3)14-17(20)23-11-8-5-2/h15H,4-14H2,1-3H3
CH$LINK: INCHIKEY HNICOURSUYWHPJ-UHFFFAOYSA-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$SPLASH: splash10-0a4i-1930000000-3268d05b2df11a19d168
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  29 2.62 26
  41 3.82 38
  43 0.49 5
  55 0.92 9
  56 10.32 103
  57 19.12 191
  58 1.15 12
  73 1.26 13
  85 0.72 7
  86 7.07 71
  87 1.02 10
  99 1.09 11
  101 0.25 3
  112 7.28 73
  113 7.46 75
  114 6.1 61
  115 1.71 17
  116 0.22 2
  118 8.08 81
  125 4.15 42
  129 1.08 11
  130 1.4 14
  131 1.08 11
  139 0.66 7
  140 6.39 64
  141 44.47 445
  142 10.89 109
  143 1.49 15
  144 0.49 5
  155 0.49 5
  157 2.68 27
  158 6.27 63
  159 99.99 999
  160 9.41 94
  161 1.6 16
  168 5.36 54
  169 3.61 36
  170 6.49 65
  171 2.04 20
  172 0.22 2
  173 1.12 11
  185 0.16 2
  186 1.41 14
  187 0.42 4
  188 0.15 2
  196 4.27 43
  197 0.41 4
  213 3.06 31
  214 6.36 64
  215 49.81 498
  216 5.53 55
  217 0.83 8
  229 0.71 7
  233 0.11 1
  242 1.22 12
  243 1.78 18
  244 1.6 16
  245 0.12 1
  254 0.1 1
  270 10.14 101
  271 19.91 199
  272 3.17 32
  273 0.42 4
  289 3.25 33
  290 0.42 4
  344 0.17 2
  345 0.62 6
//