ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004553
RECORD_TITLE: METHYL 3,4,6-TRI-O-METHYL MANNOPYRANOSIDE; 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$NAME: METHYL 3,4,6-TRI-O-METHYL MANNOPYRANOSIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₆
CH$EXACT_MASS: 236.12599
CH$SMILES: COCC(O1)C(OC)C(OC)C(O)C(OC)1
CH$IUPAC: InChI=1S/C10H20O6/c1-12-5-6-8(13-2)9(14-3)7(11)10(15-4)16-6/h6-11H,5H2,1-4H3/t6-,7+,8-,9-,10+/m1/s1
CH$LINK: INCHIKEY MJCQVUQCEVACLB-ZOZBQHSOSA-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$SPLASH: splash10-00g1-9100000000-7c14360e763e7a44505c
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  41 22.6 226
  42 5.1 51
  43 13.4 134
  44 0.44 4
  45 75.5 755
  46 1 10
  47 1.6 16
  53 0.52 5
  54 1.6 16
  55 8.3 83
  56 3.2 32
  57 0.89 9
  58 14 140
  59 20.6 206
  60 1.6 16
  61 0.31 3
  67 0.9 9
  68 3.4 34
  69 7.9 79
  70 0.13 1
  71 99.99 999
  72 9.7 97
  73 17.3 173
  74 6.13 61
  75 98.5 985
  76 2.6 26
  77 0.5 5
  81 0.34 3
  82 1.6 16
  83 2.5 25
  84 3.6 36
  85 1.22 12
  86 1.5 15
  87 34.3 343
  88 67.3 673
  89 2.9 29
  90 0.7 7
  95 0.4 4
  97 1.6 16
  98 0.06 1
  99 11.5 115
  100 2.2 22
  101 37.8 378
  102 1.36 14
  103 1.8 18
  111 4.5 45
  112 3.9 39
  113 0.32 3
  114 1.4 14
  115 8.2 82
  116 1.2 12
  117 0.7 7
  118 1.2 12
  127 15.1 151
  128 0.4 4
  129 0.08 1
  130 2.2 22
  131 4.4 44
  140 0.6 6
  141 0.16 2
  143 1.1 11
  144 1.7 17
  145 0.6 6
  149 0.23 2
  159 5.4 54
  161 18.4 184
  162 0.7 7
  172 0.23 2
  173 2.1 21
  175 0.8 8
  191 0.5 5
  204 0.08 1
  205 1.6 16
//