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MassBank Record: JP007295

(2S,3R)-BUTAN-1,2,3,4-TETRAOL 2,4-ISOPROPYLIDENE ACETAL; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP007295
RECORD_TITLE: (2S,3R)-BUTAN-1,2,3,4-TETRAOL 2,4-ISOPROPYLIDENE 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$NAME: (2S,3R)-BUTAN-1,2,3,4-TETRAOL 2,4-ISOPROPYLIDENE ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O4
CH$EXACT_MASS: 162.08921
CH$SMILES: OCC([H])(O1)C([H])(O)COC(C)(C)1
CH$IUPAC: InChI=1S/C7H14O4/c1-7(2)10-4-5(9)6(3-8)11-7/h5-6,8-9H,3-4H2,1-2H3/t5-,6+/m1/s1
CH$LINK: INCHIKEY ODWXYNAGEJVSQH-RITPCOANSA-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$SPLASH: splash10-0a4i-9300000000-cfc13dc0deddee42915d
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  43 11.3 113
  58 2.7 27
  59 99.99 999
  61 0.5 5
  69 5.9 59
  74 6.3 63
  87 5 50
  102 1.09 11
  105 2.7 27
  119 3.2 32
  131 14.5 145
  137 0.27 3
  147 22.2 222
  148 2.3 23
  163 2.3 23
//

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