MassBank Record: JP001728



 2-HYDROXY-1,2,3-PROPANETRICARBOXYLIC ACIDTRIBUTYL ESTER; CI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001728
RECORD_TITLE: 2-HYDROXY-1,2,3-PROPANETRICARBOXYLIC ACIDTRIBUTYL ESTER; CI-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$IUPAC: InChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-08fr-0289000000-5f33fa6960e4a3c2ab6b PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 61 0.97 10 67 0.47 5 69 0.6 6 73 0.64 6 111 0.59 6 117 1.46 15 129 7.1 71 147 1.02 10 157 1.3 13 185 22.3 223 186 2.83 28 187 0.53 5 203 1.23 12 213 2.22 22 215 0.19 2 225 1.63 16 231 0.85 9 243 1.01 10 245 0.78 8 259 81.95 820 260 11.13 111 261 1.43 14 269 2.34 23 271 0.78 8 287 8.51 85 288 1.18 12 299 2 20 305 0.98 10 343 1.15 12 345 0.7 7 359 0.35 4 361 99.99 999 362 19.5 195 363 3.3 33 364 0.22 2 399 2.11 21 //