ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006326
RECORD_TITLE: METHYL 2,3-O-ISOPROPYLIDENE-ALPHA-L-RHAMNOPYRANOSIDE (2,2,2,3,3,3-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$NAME: METHYL 2,3-O-ISOPROPYLIDENE-ALPHA-L-RHAMNOPYRANOSIDE (2,2,2,3,3,3-D6)
CH$NAME: METHYL 2,3-O-HEXADEUTEROISOPROPYLIDENE-ALPHA-L-RHAMNOPYRANOSIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₅
CH$EXACT_MASS: 218.11542
CH$SMILES: COC(O2)C([H])(O1)C([H])(C(O)C(C)2)OC(C([2H])([2H])[2H])(C([2H])([2H])[2H])1
CH$IUPAC: InChI=1S/C10H18O5/c1-5-6(11)7-8(9(12-4)13-5)15-10(2,3)14-7/h5-9,11H,1-4H3/t5-,6-,7+,8+,9+/m0/s1/i2D3,3D3
CH$LINK: INCHIKEY TVKKWQAJQZHTDN-XQPZCLEZSA-N

AC$INSTRUMENT: HITACHI RMU-7L
AC$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$SPLASH: splash10-0abj-9400000000-b8e7259c249d4b459e22
PK$NUM_PEAK: 94
PK$PEAK: m/z int. rel.int.
  40 4.3 43
  41 9.6 96
  42 7.8 78
  43 2.61 26
  44 6.1 61
  45 25.2 252
  46 47 470
  47 0.43 4
  48 4.3 43
  49 5.2 52
  53 5.2 52
  54 0.52 5
  55 10.9 109
  56 7.8 78
  57 20 200
  58 1.57 16
  59 7.4 74
  60 8.3 83
  61 20.4 204
  62 0.7 7
  63 4.8 48
  64 16.5 165
  65 51.3 513
  66 0.43 4
  67 3 30
  68 3.5 35
  69 7 70
  70 0.26 3
  71 67.8 678
  72 7.4 74
  73 6.1 61
  74 0.56 6
  75 6.1 61
  76 3 30
  77 3.9 39
  78 0.61 6
  79 9.6 96
  80 1.8 18
  81 2.6 26
  82 0.74 7
  83 11.3 113
  84 3.9 39
  85 14.8 148
  86 0.61 6
  87 16.5 165
  88 52.2 522
  89 5.2 52
  90 0.26 3
  98 3.5 35
  99 3 30
  100 9.1 91
  101 0.52 5
  102 3.5 35
  103 3.9 39
  104 6.1 61
  105 2.87 29
  106 99.99 999
  107 16.5 165
  108 2.6 26
  111 0.48 5
  112 8.7 87
  113 3.5 35
  114 1.8 18
  115 0.35 4
  116 4.3 43
  117 3.5 35
  118 5.2 52
  119 0.48 5
  120 5.2 52
  121 6.1 61
  122 6.3 63
  125 0.35 4
  128 3.5 35
  129 6.1 61
  130 2.6 26
  131 0.26 3
  132 1.8 18
  133 1.8 18
  134 2.6 26
  135 0.7 7
  136 1.8 18
  143 5.2 52
  144 5.6 56
  145 0.18 2
  146 1.8 18
  174 4.3 43
  192 4.3 43
  193 0.96 10
  194 1.8 18
  205 2.6 26
  206 11.3 113
  207 0.18 2
  224 3.5 35
  225 0.9 9
//