ACCESSION: MSBNK-EPA-ENTACT_AGILENT000550
RECORD_TITLE: Tributyl citrate; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Tributyl citrate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₂O₇
CH$EXACT_MASS: 360.2148033769
CH$SMILES: CCCCOC(=O)C(O)(CC(=O)OCCCC)CC(=O)OCCCC
CH$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
CH$LINK: CAS 77-94-1
CH$LINK: INCHIKEY ZFOZVQLOBQUTQQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6507

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 361.2220798286
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9300000000-09e2607f3e65c2661506
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  41.038577 7.101274 70
  43.017841 100.000001 999
  43.054227 1.43421 14
  57.069877 25.981215 259
  61.028406 1.139703 11
  68.997106 48.724583 486
  87.00767 10.916025 109
  111.00767 40.291992 402
  129.018235 28.655419 286
  139.002585 16.223164 162
//