ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007281
RECORD_TITLE: (2S,3S)-4-BENZYLOXY-3-METHYLBUTAN-1,2-DIOLISOPROPYLIDENE ACETAL; 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$NAME: (2S,3S)-4-BENZYLOXY-3-METHYLBUTAN-1,2-DIOLISOPROPYLIDENE ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₂O₃
CH$EXACT_MASS: 250.15689
CH$SMILES: c(c2)ccc(c2)COCC([H])(C)C([H])(C1)OC(C)(C)O1
CH$IUPAC: InChI=1S/C15H22O3/c1-12(14-11-17-15(2,3)18-14)9-16-10-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3/t12-,14-/m1/s1
CH$LINK: INCHIKEY MHEZVHROAZUHDG-TZMCWYRMSA-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$SPLASH: splash10-006x-6910000000-afd90b60ef4f9ee7fde1
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  42 2.1 21
  43 2.3 23
  55 2.5 25
  58 0.83 8
  59 5.1 51
  69 6.3 63
  70 2.8 28
  71 0.38 4
  72 11.8 118
  83 2.8 28
  84 5.1 51
  85 0.44 4
  86 12.7 127
  87 5.5 55
  91 99.99 999
  92 1.4 14
  101 17.1 171
  103 2.8 28
  104 7 70
  105 0.99 10
  106 6.6 66
  107 14 140
  108 9.1 91
  120 0.38 4
  129 5.9 59
  133 2.1 21
  134 4.7 47
  143 0.85 9
  144 1.9 19
  145 13.3 133
  147 2.1 21
  148 0.4 4
  149 2.3 23
  150 7.6 76
  159 15.4 154
  160 0.23 2
  161 3 30
  173 2.3 23
  174 56.1 561
  175 0.91 9
  177 2.1 21
  191 6.6 66
  192 34.1 341
  193 0.51 5
  235 30.1 301
  236 4.9 49
  249 0.4 4
  251 0.2 2
//