ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006327
RECORD_TITLE: METHYL 3,4-O-ISOPROPYLIDENE-BETA-D-FUCOPYRANOSIDE (3,3,3,4,4,4-D6); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 3,4-O-ISOPROPYLIDENE-BETA-D-FUCOPYRANOSIDE (3,3,3,4,4,4-D6)
CH$NAME: METHYL 3,4-O-HEXADEUTEROISOPROPYLIDENE-BETA-D-FUCOPYRANOSIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₅
CH$EXACT_MASS: 218.11542
CH$SMILES: COC(O2)C(O)C([H])(O1)C([H])(C(C)2)OC(C([2H])([2H])[2H])(C([2H])([2H])[2H])1
CH$IUPAC: InChI=1S/C10H18O5/c1-5-7-8(15-10(2,3)14-7)6(11)9(12-4)13-5/h5-9,11H,1-4H3/t5-,6-,7+,8-,9-/m1/s1/i2D3,3D3
CH$LINK: INCHIKEY UONDNTMXANWPHZ-ZPOOEJENSA-N

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-052b-9200000000-6f4b12ae281decf2d8e4
PK$NUM_PEAK: 94
PK$PEAK: m/z int. rel.int.
  40 4.8 48
  41 26.2 262
  42 14.3 143
  43 4.63 46
  44 9.5 95
  45 31 310
  46 99.99 999
  47 0.48 5
  48 3.6 36
  49 3.6 36
  50 1.2 12
  51 0.12 1
  52 1.2 12
  53 7.1 71
  54 4.8 48
  55 1.9 19
  56 10.7 107
  57 21.4 214
  58 11.9 119
  59 1.31 13
  60 14.3 143
  61 21.4 214
  62 4.8 48
  63 0.48 5
  64 15.8 158
  65 63.1 631
  66 4.8 48
  67 0.36 4
  68 2.4 24
  69 13.1 131
  70 4.8 48
  71 5.24 52
  72 9.5 95
  73 10.7 107
  74 28.6 286
  75 0.6 6
  76 2.4 24
  77 2.4 24
  78 2.4 24
  79 0.36 4
  80 1.2 12
  81 4.8 48
  82 3.6 36
  83 2.38 24
  84 4.8 48
  85 7.1 71
  86 3.6 36
  87 3.1 31
  88 27.4 274
  89 4.8 48
  90 3.6 36
  91 0.12 1
  92 1.2 12
  95 2.4 24
  96 1.2 12
  97 0.48 5
  98 2.4 24
  99 7.1 71
  100 8.3 83
  101 0.95 10
  102 6 60
  103 2.4 24
  104 6 60
  105 2.86 29
  106 31 310
  107 15.5 155
  108 2.4 24
  109 0.24 2
  110 1.2 12
  111 8.3 83
  112 2.4 24
  113 0.29 3
  114 2.4 24
  115 2.4 24
  116 4.8 48
  117 0.12 1
  118 2.4 24
  119 3.6 36
  120 2.4 24
  121 0.29 3
  125 2.4 24
  126 1.2 12
  127 6 60
  128 0.6 6
  129 3.6 36
  130 2.4 24
  135 3.6 36
  143 0.95 10
  144 2.4 24
  193 8.3 83
  206 21.4 214
  207 0.12 1
  224 2.4 24
  225 0.3 3
//