ACCESSION: MSBNK-EPA-ENTACT_AGILENT002489
RECORD_TITLE: Ascorbyl palmitate; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-014i-0900000000-0ea43b9d760f2d56a553
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  69.033491 2.035991 20
  91.054227 1.324221 13
  107.085527 1.659516 16
  119.085527 99.999998 999
  129.054621 1.336184 13
  133.064791 1.191286 11
  135.080441 11.23355 112
//