ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007262
RECORD_TITLE: (2S,3S)-4-BENZYLOXY-2-METHOXYETHOXYMETHOXY-3-METHYLBUTANOL; 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$NAME: (2S,3S)-4-BENZYLOXY-2-METHOXYETHOXYMETHOXY-3-METHYLBUTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₆O₅
CH$EXACT_MASS: 298.17802
CH$SMILES: COCCOCOC([H])(CO)C([H])(C)COCc(c1)cccc1
CH$IUPAC: InChI=1S/C16H26O5/c1-14(11-20-12-15-6-4-3-5-7-15)16(10-17)21-13-19-9-8-18-2/h3-7,14,16-17H,8-13H2,1-2H3/t14-,16+/m0/s1
CH$LINK: INCHIKEY GQRCJVXBMORUOT-GOEBONIOSA-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$SPLASH: splash10-0k9l-7910000000-a7633e4cd2d568ba6ec0
PK$NUM_PEAK: 81
PK$PEAK: m/z int. rel.int.
  43 2.5 25
  45 14.6 146
  47 4.3 43
  56 0.31 3
  58 7.4 74
  59 11.6 116
  68 2.2 22
  70 0.25 3
  71 6 60
  73 2.7 27
  75 2.5 25
  76 0.36 4
  77 2.2 22
  83 2.3 23
  84 13.9 139
  85 6.73 67
  86 4.5 45
  87 14.6 146
  89 99.99 999
  90 1.1 11
  91 60.3 603
  92 13 130
  98 2.9 29
  99 0.22 2
  101 25 250
  102 9.2 92
  103 25.7 257
  104 0.96 10
  105 13.2 132
  106 2.7 27
  107 47.2 472
  108 2.01 20
  114 2.7 27
  115 4.2 42
  116 3.2 32
  118 0.31 3
  119 4 40
  120 11.6 116
  121 9.9 99
  122 0.94 9
  129 2.9 29
  131 14.6 146
  132 4.5 45
  133 0.27 3
  134 2 20
  136 3.2 32
  143 2.3 23
  145 0.27 3
  146 1.8 18
  147 22.2 222
  148 4 40
  149 0.23 2
  150 8.8 88
  159 3.2 32
  161 14.6 146
  162 0.52 5
  163 2.3 23
  165 1.8 18
  167 37.5 375
  168 0.38 4
  172 5.2 52
  173 2.9 29
  174 9.2 92
  175 0.51 5
  176 4.5 45
  177 11.6 116
  178 3.4 34
  179 1.73 17
  180 2 20
  189 3.1 31
  191 16 160
  192 1.08 11
  193 2.3 23
  207 3.2 32
  209 27.1 271
  210 0.43 4
  222 10.3 103
  223 12.6 126
  237 3.2 32
  267 0.29 3
  299 0.5 5
//