ACCESSION: MSBNK-EPA-ENTACT_AGILENT001380
RECORD_TITLE: Decyl beta-D-glucopyranoside; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Decyl beta-D-glucopyranoside
CH$NAME: DTXSID2041208
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₂O₆
CH$EXACT_MASS: 320.2198887546
CH$SMILES: CCCCCCCCCCOC1OC(CO)C(O)C(O)C1O
CH$IUPAC: InChI=1S/C16H32O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h12-20H,2-11H2,1H3
CH$LINK: CAS 58846-77-8
CH$LINK: INCHIKEY JDRSMPFHFNXQRB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:62142

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 319.2126123029
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-11vi-9703000000-96841be8b0a9798045dd
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  43.018938 22.906082 228
  44.998203 10.239375 102
  55.018938 3.408942 34
  57.034588 4.350731 43
  59.013853 38.347296 383
  71.013853 53.883231 538
  73.029503 30.96391 309
  83.013853 9.347792 93
  85.029503 24.972023 249
  87.008768 3.319988 33
  89.024418 9.263802 92
  95.013853 1.289645 12
  97.029503 1.976386 19
  99.008768 10.02982 100
  101.003288 1.562224 15
  101.024418 100.000002 999
  101.060803 1.481491 14
  113.024418 44.652591 446
  119.034982 1.100867 10
  125.024418 1.332765 13
  129.019332 3.436737 34
  143.034982 4.026999 40
  159.029897 12.029883 120
  161.045547 26.85386 268
  319.212612 75.043319 749
//