ACCESSION: MSBNK-EPA-ENTACT_AGILENT000552
RECORD_TITLE: Tributyl citrate; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-000i-0920000000-9c186a1d70c970b90bbb
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  43.017841 1.863012 18
  111.00767 1.432406 14
  129.018235 26.590665 265
  139.002585 1.942566 19
  157.01315 4.335187 43
  185.080835 99.999998 999
  185.132477 1.964702 19
  185.153606 1.176103 11
  213.07575 2.290662 22
  259.154 34.359455 343
  361.22208 1.22925 12
//