MassBank Record: JP003333



 TRIETHYL 2-CARBOXYMETHYL-1,2,3-PROPANE-TRICARBOXYLATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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)
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 //