ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003333
RECORD_TITLE: TRIETHYL 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$NAME: TRIETHYL 2-CARBOXYMETHYL-1,2,3-PROPANE-TRICARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂O₈
CH$EXACT_MASS: 318.13147
CH$SMILES: CCOC(=O)CC(CC(O)=O)(CC(=O)OCC)C(=O)OCC
CH$IUPAC: InChI=1S/C14H22O8/c1-4-20-11(17)8-14(7-10(15)16,13(19)22-6-3)9-12(18)21-5-2/h4-9H2,1-3H3,(H,15,16)
CH$LINK: INCHIKEY DAQMTWXLRQXSLR-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$SPLASH: splash10-0a4i-1940000000-accf71588118a92aa434
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  44 2.8 28
  45 3.3 33
  55 2.7 27
  56 2.5 25
  59 3.6 36
  60 2.4 24
  69 3.6 36
  84 0.59 6
  85 5.1 51
  87 2.5 25
  88 3.2 32
  111 0.59 6
  112 10.2 102
  113 3.2 32
  115 17.9 179
  129 0.32 3
  130 8.3 83
  139 11.3 113
  140 6 60
  141 0.22 2
  156 2.2 22
  157 99.99 999
  158 7.2 72
  167 0.36 4
  185 6 60
  203 43.9 439
  204 5.2 52
  212 0.51 5
  213 17.1 171
  231 3.6 36
  245 6.4 64
  273 1.62 16
  274 3.2 32
  319 2 20
//