ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001727
RECORD_TITLE: 2-HYDROXY-1,2,3-PROPANETRICARBOXYLIC ACIDTRIBUTYL 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$NAME: 2-HYDROXY-1,2,3-PROPANETRICARBOXYLIC ACIDTRIBUTYL ESTER
CH$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: 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$SPLASH: splash10-0550-1920000000-d02631bec8719bddba2a
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  29 3.29 33
  31 0.45 5
  41 5.82 58
  42 0.65 7
  43 4.13 41
  57 26.72 267
  58 1.12 11
  60 0.77 8
  61 0.9 9
  69 0.32 3
  73 0.17 2
  83 0.35 4
  84 1.12 11
  85 0.65 7
  86 0.18 2
  87 3.56 36
  89 0.11 1
  90 5.16 52
  95 0.69 7
  101 0.46 5
  102 5.22 52
  103 2.62 26
  105 1 10
  111 8.87 89
  112 1.6 16
  113 3.55 36
  114 0.1 1
  115 0.99 10
  116 0.27 3
  125 0.23 2
  128 0.7 7
  129 82.79 828
  130 6.25 63
  131 1.95 20
  132 15.13 151
  134 0.2 2
  139 2.29 23
  140 0.33 3
  141 0.21 2
  142 0.11 1
  143 2.35 24
  144 0.16 2
  145 0.12 1
  147 16.2 162
  148 0.9 9
  149 0.19 2
  156 0.58 6
  157 6.21 62
  158 5.79 58
  159 1.04 10
  169 3.13 31
  171 0.24 2
  175 1.73 17
  185 99.99 999
  186 15.92 159
  187 2.41 24
  188 0.14 1
  189 0.87 9
  203 7.03 70
  204 0.73 7
  213 2.15 22
  214 0.31 3
  231 1.11 11
  245 0.91 9
  259 54.05 541
  260 8.14 81
  261 1.27 13
  269 0.64 6
  287 1.04 10
  305 0.2 2
  361 1.59 16
  362 0.25 3
//
