MassBank Record: JP003332



 TRIBUTYL CITRATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003332
RECORD_TITLE: TRIBUTYL CITRATE; 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$NAME: TRIBUTYL CITRATE CH$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$INSTRUMENT: JEOL JMS-01-SG-2 AC$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$SPLASH: splash10-052r-4930000000-28658e93d35f23f93d0f PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 43 10.1 101 54 7 70 55 11 110 56 36.5 365 59 2.5 25 69 2.7 27 84 3.8 38 87 0.68 7 101 1.1 11 102 6.6 66 111 9.5 95 129 6.03 60 130 3.3 33 139 2.3 23 147 7.5 75 157 0.52 5 158 3.3 33 185 99.99 999 186 9.7 97 203 0.42 4 259 50.7 507 260 8.9 89 261 1.3 13 287 0.21 2 361 3.1 31 //