ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007282
RECORD_TITLE: (2S,3S)-4-BENZYLOXY-3-METHYLBUTAN-1,2-DIOL; 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$NAME: (2S,3S)-4-BENZYLOXY-3-METHYLBUTAN-1,2-DIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈O₃
CH$EXACT_MASS: 210.12559
CH$SMILES: OCC([H])(O)C([H])(C)COCc(c1)cccc1
CH$IUPAC: InChI=1S/C12H18O3/c1-10(12(14)7-13)8-15-9-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12+/m0/s1
CH$LINK: INCHIKEY BSAZSOBKWUSCEH-CMPLNLGQSA-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$SPLASH: splash10-052f-9800000000-8104c60aabb53e7353a1
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  43 5.7 57
  45 11.4 114
  54 2.6 26
  56 0.46 5
  57 2.6 26
  58 6.8 68
  59 6.3 63
  61 0.24 2
  68 7.9 79
  69 6.8 68
  70 3.9 39
  71 1.07 11
  72 2.2 22
  79 9.2 92
  84 13.4 134
  85 0.77 8
  86 3.5 35
  87 22.4 224
  88 2.2 22
  91 99.99 999
  92 13.8 138
  93 2.4 24
  101 5.5 55
  102 0.63 6
  105 38.8 388
  106 9.4 94
  107 56.9 569
  108 4.74 47
  109 5 50
  118 7.9 79
  119 3.7 37
  120 2.16 22
  121 5.7 57
  122 2.6 26
  131 6.1 61
  132 0.31 3
  133 2.6 26
  143 3.1 31
  147 3.1 31
  148 0.26 3
  150 9.2 92
  159 8.8 88
  161 8.1 81
  174 0.92 9
  175 9 90
  176 2.2 22
  179 12 120
  191 0.31 3
  192 3.9 39
  210 3.7 37
  211 2.8 28
//