MassBank Record: JP001727



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

ACCESSION: 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$IUPAC: InChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3
AC$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 //