ACCESSION: MSBNK-EPA-ENTACT_AGILENT001379
RECORD_TITLE: Decyl beta-D-glucopyranoside; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0pi0-9200000000-5180761b42fe09c51e64
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  41.003288 2.688325 26
  43.018938 34.273819 342
  44.998203 15.054093 150
  55.018938 26.594723 265
  57.034588 6.828273 68
  59.013853 100.000002 999
  69.034588 2.043194 20
  71.013853 58.223602 581
  71.034982 1.250442 12
  73.029503 32.521365 324
  75.008768 1.900327 18
  83.013853 20.858823 208
  85.029503 45.702447 456
  86.000943 1.953337 19
  87.008768 2.590208 25
  89.024418 3.313723 33
  95.013853 6.602488 65
  97.029503 2.198791 21
  99.008768 7.130311 71
  101.024418 66.774089 667
  101.060803 1.543144 15
  111.008768 1.453293 14
  113.024418 24.560392 245
  125.024418 1.82862 18
  129.019332 1.374378 13
  157.159789 1.846969 18
  159.029897 1.798121 17
  161.045547 1.648519 16
//