ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000983
RECORD_TITLE: METHYL-3,4,6-TRI-O-METHYLMANNOSIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HORI T, DEPT. OF CHEMISTRY, FAC. OF LIBERAL ARTS AND EDUCATION, SHIGA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL-3,4,6-TRI-O-METHYLMANNOSIDE
CH$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$INSTRUMENT: SHIMADZU LKB-9000
AC$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$SPLASH: splash10-00g0-9100000000-8e2a689b79c3cf5e0aad
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  41 22 220
  42 5.5 55
  43 14 140
  44 5 50
  45 76 760
  46 1 10
  47 2 20
  53 5 50
  54 1.5 15
  55 8 80
  56 3 30
  57 9 90
  58 14 140
  59 20 200
  60 1.5 15
  61 3 30
  67 1 10
  68 4 40
  69 8 80
  70 1 10
  71 99.99 999
  72 10 100
  73 17 170
  74 61 610
  75 98 980
  76 2 20
  81 3.5 35
  82 1.5 15
  83 3 30
  84 4 40
  85 12 120
  86 1.5 15
  87 34 340
  88 68 680
  89 28 280
  97 1.5 15
  99 11 110
  100 2 20
  101 38 380
  102 13 130
  103 2 20
  111 4 40
  112 4 40
  113 1.5 15
  114 1 10
  115 8 80
  116 1 10
  117 7 70
  118 1 10
  127 15 150
  130 2 20
  131 4 40
  141 1.5 15
  143 1.5 15
  144 1 10
  149 2 20
  159 6 60
  161 18 180
  172 2 20
  173 2 20
//