ACCESSION: MSBNK-EPA-ENTACT_AGILENT001381
RECORD_TITLE: Decyl beta-D-glucopyranoside; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0a4i-9000000000-7ca07a6b4b6b796497ba
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  31.018938 1.052122 10
  41.003288 3.811133 38
  43.018938 31.575101 315
  44.998203 14.597763 145
  51.024024 2.176881 21
  55.018938 42.842065 427
  56.998203 2.408257 24
  57.034588 8.562037 85
  59.013853 99.999998 999
  69.034588 1.721213 17
  71.013853 23.403503 233
  73.029503 6.182325 61
  83.013853 8.067815 80
  85.029503 9.195215 91
  86.000943 4.752769 47
  87.008768 1.691544 16
  95.013853 2.473961 24
  99.008768 1.590172 15
  101.024418 2.687338 26
  155.144139 1.41863 14
//