ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004533
RECORD_TITLE: METHYL 2,3-DI-O-METHYLXYLOPYRANOSIDE; 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$NAME: METHYL 2,3-DI-O-METHYLXYLOPYRANOSIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₅
CH$EXACT_MASS: 192.09977
CH$SMILES: COC(O1)C(OC)C(OC)C(O)C1
CH$IUPAC: InChI=1S/C8H16O5/c1-10-6-5(9)4-13-8(12-3)7(6)11-2/h5-9H,4H2,1-3H3/t5-,6+,7-,8+/m1/s1
CH$LINK: INCHIKEY XOUFXMJHIWGWKK-CWKFCGSDSA-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$SPLASH: splash10-000i-9100000000-43708f4a926dcf7996e3
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  45 16.9 169
  47 0.8 8
  53 1.1 11
  55 0.43 4
  56 0.6 6
  57 4.3 43
  59 5.1 51
  67 0.07 1
  69 1.3 13
  71 3.8 38
  72 11.7 117
  73 1.84 18
  74 2.4 24
  75 38.4 384
  76 0.6 6
  83 0.06 1
  85 3.2 32
  88 99.99 999
  89 5.7 57
  97 0.25 3
  99 1 10
  101 24.6 246
  102 1 10
  111 0.04 0
  114 0.8 8
  115 0.2 2
  119 2.8 28
  129 0.75 8
  131 2.9 29
  176 2.3 23
  410 7.8 78
  420 1.6 16
  430 7.3 73
  440 0.06 1
//