ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007294
RECORD_TITLE: (2S,3S)-3-BENZYLOXY-4-PIVALOYLOXY-1,2-BUTANEDIOL; 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$NAME: (2S,3S)-3-BENZYLOXY-4-PIVALOYLOXY-1,2-BUTANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₄O₅
CH$EXACT_MASS: 296.16237
CH$SMILES: OCC([H])(O)C([H])(OCc(c1)cccc1)COC(=O)C(C)(C)C
CH$IUPAC: InChI=1S/C16H24O5/c1-16(2,3)15(19)21-11-14(13(18)9-17)20-10-12-7-5-4-6-8-12/h4-8,13-14,17-18H,9-11H2,1-3H3/t13-,14-/m0/s1
CH$LINK: INCHIKEY RHALHAIHZXQZTH-KBPBESRZSA-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 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-0900000000-024d97482af1555df45a
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  58 1.8 18
  67 2.1 21
  68 3.2 32
  82 0.32 3
  85 5.7 57
  97 4.6 46
  98 6 60
  115 0.53 5
  121 99.99 999
  122 82.2 822
  123 7.5 75
  136 0.85 9
  137 15.3 153
  138 7.1 71
  147 1.8 18
  152 0.96 10
  153 3.9 39
  205 2.5 25
  218 1.4 14
  219 1.8 18
//