ACCESSION: MSBNK-EPA-ENTACT_AGILENT002488
RECORD_TITLE: Ascorbyl palmitate; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Ascorbyl palmitate
CH$NAME: DTXSID3041611
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₃₈O₇
CH$EXACT_MASS: 414.2617535683
CH$SMILES: CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(=O)C1O
CH$IUPAC: InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,19,21,23,25H,2-16H2,1H3
CH$LINK: CAS 137-66-6
CH$LINK: INCHIKEY CYJPUZLKFAUFHF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:54680660

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$FOCUSED_ION: PRECURSOR_M/Z 415.26903002
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-1900000000-abe6551404c7dc4ec6f4
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  57.033491 1.365014 13
  69.033491 2.953649 29
  77.038577 1.137314 11
  83.049141 1.049982 10
  85.028406 1.196164 11
  91.054227 10.857492 108
  103.054227 1.303793 13
  104.062052 1.218104 12
  105.069877 1.325856 13
  107.085527 10.874988 108
  117.069877 2.314616 23
  119.085527 100 999
  133.064791 1.451453 14
  135.080441 3.909759 39
//