ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004537
RECORD_TITLE: METHYL 2,3,6-TRI-O-METHYLGLUCOPYRANOSIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2,3,6-TRI-O-METHYLGLUCOPYRANOSIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₆
CH$EXACT_MASS: 236.12599
CH$SMILES: COCC(O1)C(O)C(OC)C(OC)C(OC)1
CH$IUPAC: InChI=1S/C10H20O6/c1-12-5-6-7(11)8(13-2)9(14-3)10(15-4)16-6/h6-11H,5H2,1-4H3/t6-,7-,8+,9-,10+/m1/s1
CH$LINK: CAS 23009-68-9
CH$LINK: INCHIKEY WMAJFVGSEYZPMZ-SPFKKGSWSA-N

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-002r-9000000000-06f16f7d20f8a2c67a66
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  41 7 70
  42 2.5 25
  43 7.2 72
  44 0.09 1
  45 44.8 448
  47 0.8 8
  53 0.8 8
  55 0.39 4
  56 1.9 19
  57 6.3 63
  58 7.3 73
  59 0.71 7
  60 0.8 8
  61 2.5 25
  69 3 30
  70 0.13 1
  71 18.8 188
  72 0.8 8
  73 21.4 214
  74 1.27 13
  75 66 660
  76 1 10
  81 1 10
  83 0.09 1
  84 2.1 21
  85 13.2 132
  87 13.6 136
  88 99.99 999
  89 8 80
  97 0.5 5
  99 5.1 51
  101 2.01 20
  102 0.6 6
  111 1.1 11
  113 2.4 24
  115 0.1 1
  117 0.6 6
  118 1.3 13
  127 1.3 13
  130 0.64 6
  131 0.4 4
  144 1.9 19
  159 0.5 5
  161 0.81 8
  173 2.7 27
//