ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007263
RECORD_TITLE: (3S,4S)-5-BENZYLOXY-3-METHOXYETHOXYMETHOXY-4-METHYLPENTAN-2-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (3S,4S)-5-BENZYLOXY-3-METHOXYETHOXYMETHOXY-4-METHYLPENTAN-2-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₈O₅
CH$EXACT_MASS: 312.19367
CH$SMILES: COCCOCOC([H])(C(C)O)C([H])(C)COCc(c1)cccc1
CH$IUPAC: InChI=1S/C17H28O5/c1-14(11-21-12-16-7-5-4-6-8-16)17(15(2)18)22-13-20-10-9-19-3/h4-8,14-15,17-18H,9-13H2,1-3H3/t14-,15?,17-/m0/s1
CH$LINK: INCHIKEY ODZBZVMOADMGBO-AYWPPYMVSA-N

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00kr-4910000000-d96b81b0ae8623a9d62a
PK$NUM_PEAK: 81
PK$PEAK: m/z int. rel.int.
  45 3.4 34
  58 4 40
  59 3.7 37
  69 0.23 2
  72 2.2 22
  73 1.9 19
  75 2.4 24
  83 0.26 3
  84 5.9 59
  85 12.3 123
  86 7 70
  87 2.79 28
  89 99.99 999
  90 7.8 78
  91 38.2 382
  92 1.03 10
  97 2.1 21
  98 14 140
  99 23.4 234
  100 0.44 4
  101 32.8 328
  102 2.8 28
  103 2.2 22
  104 3.33 33
  105 9.9 99
  107 27.5 275
  108 5.8 58
  115 1.77 18
  116 15.6 156
  117 39.4 394
  118 4.1 41
  119 1.19 12
  120 13.5 135
  121 32 320
  122 3.1 31
  126 0.2 2
  129 3.6 36
  130 3.7 37
  131 12.7 127
  132 0.32 3
  134 6.5 65
  144 3.2 32
  145 15.2 152
  146 0.26 3
  147 7.8 78
  148 3 30
  149 2.3 23
  159 0.35 4
  160 3.1 31
  161 14 140
  162 11.1 111
  163 0.39 4
  164 6.6 66
  165 3.8 38
  167 43.5 435
  168 0.6 6
  173 2.6 26
  174 19.3 193
  175 3.4 34
  177 1.64 16
  178 4.8 48
  179 25.5 255
  180 15.2 152
  188 0.27 3
  189 3.8 38
  190 3.1 31
  191 9.9 99
  192 0.9 9
  193 2.6 26
  197 6.2 62
  203 2.6 26
  205 0.26 3
  207 3.8 38
  223 16.8 168
  224 2.1 21
  236 0.78 8
  237 30.8 308
  238 4.4 44
  267 3.3 33
  268 0.22 2
  313 1.4 14
//