ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006325
RECORD_TITLE: METHYL 3,4-O-ISOPROPYLIDENE-BETA-D-FUCOPYRANOSIDE; 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$NAME: METHYL 3,4-O-ISOPROPYLIDENE-BETA-D-FUCOPYRANOSIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₅
CH$EXACT_MASS: 218.11542
CH$SMILES: COC(O1)C(O)C([H])(O2)C([H])(OC(C)(C)2)C(C)1
CH$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
CH$LINK: INCHIKEY UONDNTMXANWPHZ-SYHAXYEDSA-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$SPLASH: splash10-0f6x-9200000000-f48342813c5a4f83fbbd
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  40 3.5 35
  41 24.3 243
  42 7 70
  43 99.99 999
  44 5.2 52
  45 15.7 157
  53 4.3 43
  54 0.35 4
  55 20.9 209
  56 13 130
  57 20.9 209
  58 8.61 86
  60 7 70
  61 20 200
  69 5.2 52
  70 0.26 3
  71 60.9 609
  72 7 70
  73 11.3 113
  74 2.7 27
  75 3.5 35
  81 1.7 17
  82 2.6 26
  83 3.13 31
  84 3.5 35
  85 34.8 348
  86 3.5 35
  87 4 40
  88 7.8 78
  89 1.7 17
  99 48.7 487
  100 7.48 75
  101 45.2 452
  102 3.5 35
  103 3.5 35
  111 1.13 11
  112 1.7 17
  113 5.2 52
  114 1.7 17
  115 0.26 3
  116 10.4 104
  117 1.7 17
  118 1.7 17
  119 0.17 2
  125 3.5 35
  127 1.7 17
  128 13.9 139
  129 0.87 9
  130 1.7 17
  131 1.7 17
  143 7 70
  145 0.17 2
  146 1.7 17
  160 1.7 17
  186 2.6 26
  187 0.96 10
  203 24.3 243
  204 3.5 35
  218 0.9 9
  219 0.1 1
//