ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006324
RECORD_TITLE: METHYL 2,3-O-ISOPROPYLIDENE-ALPHA-L-RHAMNOPYRANOSIDE; 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$NAME: METHYL 2,3-O-ISOPROPYLIDENE-ALPHA-L-RHAMNOPYRANOSIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₅
CH$EXACT_MASS: 218.11542
CH$SMILES: COC(O1)C(O2)C(OC(C)(C)2)C(O)C(C)1
CH$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
CH$LINK: INCHIKEY TVKKWQAJQZHTDN-OFPUPOEVSA-N
CH$LINK: COMPTOX DTXSID60447270

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$SPLASH: splash10-0zfr-9400000000-cc032d8d44a538ed8eb4
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  40 3.1 31
  41 17.7 177
  42 6.6 66
  43 1.63 16
  44 4.3 43
  45 21.4 214
  46 1.4 14
  47 0.47 5
  48 2.3 23
  49 2.4 24
  50 1.4 14
  51 0.11 1
  53 4.6 46
  54 4 40
  55 34.3 343
  56 0.97 10
  57 21.7 217
  58 18.7 187
  59 49.1 491
  60 0.91 9
  61 12.2 122
  70 1.1 11
  71 58.3 583
  72 0.51 5
  73 16.6 166
  74 4.4 44
  75 6.9 69
  81 0.17 2
  82 4 40
  83 14 140
  84 2.9 29
  85 6.17 62
  86 4.6 46
  87 12.4 124
  88 1.7 17
  89 0.11 1
  97 2.9 29
  98 1.4 14
  99 32 320
  100 99.99 999
  101 27.1 271
  102 2.1 21
  103 2.2 22
  111 1.37 14
  112 5.4 54
  113 2 20
  114 1.3 13
  115 0.49 5
  116 2.1 21
  117 1.3 13
  118 1.1 11
  119 0.14 1
  125 1.3 13
  127 1.4 14
  128 2 20
  129 1.14 11
  130 1.4 14
  131 1.3 13
  140 1.1 11
  141 0.1 1
  143 6.3 63
  144 1.3 13
  171 5.7 57
  172 0.11 1
  185 1.7 17
  186 1.9 19
  187 9.1 91
  188 0.16 2
  203 14.4 144
  204 2.1 21
  205 1 10
  218 0.14 1
  219 0.8 8
//