MassBank Record: JP001732



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

ACCESSION: JP001732
RECORD_TITLE: 1,2,3-PROPANETRICARBOXYLIC ACID TRIBUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1,2,3-PROPANETRICARBOXYLIC ACID TRIBUTYL ESTER CH$NAME: TRICARBALLYLIC ACID TRIBUTYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H32O6 CH$EXACT_MASS: 344.21989 CH$SMILES: CCCCOC(=O)CC(CC(=O)OCCCC)C(=O)OCCCC CH$IUPAC: InChI=1S/C18H32O6/c1-4-7-10-22-16(19)13-15(18(21)24-12-9-6-3)14-17(20)23-11-8-5-2/h15H,4-14H2,1-3H3 CH$LINK: INCHIKEY HNICOURSUYWHPJ-UHFFFAOYSA-N
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: splash10-0a4i-1930000000-3268d05b2df11a19d168 PK$NUM_PEAK: 67 PK$PEAK: m/z int. rel.int. 29 2.62 26 41 3.82 38 43 0.49 5 55 0.92 9 56 10.32 103 57 19.12 191 58 1.15 12 73 1.26 13 85 0.72 7 86 7.07 71 87 1.02 10 99 1.09 11 101 0.25 3 112 7.28 73 113 7.46 75 114 6.1 61 115 1.71 17 116 0.22 2 118 8.08 81 125 4.15 42 129 1.08 11 130 1.4 14 131 1.08 11 139 0.66 7 140 6.39 64 141 44.47 445 142 10.89 109 143 1.49 15 144 0.49 5 155 0.49 5 157 2.68 27 158 6.27 63 159 99.99 999 160 9.41 94 161 1.6 16 168 5.36 54 169 3.61 36 170 6.49 65 171 2.04 20 172 0.22 2 173 1.12 11 185 0.16 2 186 1.41 14 187 0.42 4 188 0.15 2 196 4.27 43 197 0.41 4 213 3.06 31 214 6.36 64 215 49.81 498 216 5.53 55 217 0.83 8 229 0.71 7 233 0.11 1 242 1.22 12 243 1.78 18 244 1.6 16 245 0.12 1 254 0.1 1 270 10.14 101 271 19.91 199 272 3.17 32 273 0.42 4 289 3.25 33 290 0.42 4 344 0.17 2 345 0.62 6 //

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