ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004535
RECORD_TITLE: METHYL 4,6-DI-O-METHYLMANNOPYRANOSIDE; 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$NAME: METHYL 4,6-DI-O-METHYLMANNOPYRANOSIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₆
CH$EXACT_MASS: 222.11034
CH$SMILES: COCC(O1)C(OC)C(O)C(O)C(OC)1
CH$IUPAC: InChI=1S/C9H18O6/c1-12-4-5-8(13-2)6(10)7(11)9(14-3)15-5/h5-11H,4H2,1-3H3/t5-,6-,7+,8-,9+/m1/s1
CH$LINK: INCHIKEY UKSOTSKNRMTYIO-ZEBDFXRSSA-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$SPLASH: splash10-00di-9100000000-4c27a89d90f342329fa8
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  40 2.9 29
  41 21.2 212
  42 7.6 76
  43 1.43 14
  44 3.7 37
  45 97.3 973
  46 1.1 11
  53 0.24 2
  54 0.7 7
  55 7.1 71
  56 5 50
  57 0.99 10
  58 12 120
  59 21.2 212
  60 15.1 151
  61 0.87 9
  68 1.4 14
  69 10.9 109
  70 6.1 61
  71 99.99 999
  72 13 130
  73 13.7 137
  74 95.5 955
  75 3.95 40
  76 1.5 15
  77 1.2 12
  81 2 20
  83 0.16 2
  84 0.6 6
  85 10.1 101
  86 2.3 23
  87 7.46 75
  88 16.3 163
  89 5.8 58
  97 1.5 15
  98 0.12 1
  99 9.8 98
  100 3.2 32
  101 19.5 195
  102 2.58 26
  103 6.1 61
  104 0.7 7
  105 1.6 16
  111 0.25 3
  112 2 20
  113 2.2 22
  114 0.9 9
  115 0.17 2
  116 1.9 19
  117 3.9 39
  118 3.3 33
  119 0.22 2
  127 3.3 33
  129 0.9 9
  130 2.4 24
  131 0.22 2
  135 0.5 5
  145 2 20
  147 1.3 13
  149 1.59 16
  159 2.9 29
  187 0.5 5
  191 0.7 7
//