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MassBank Record: JP002454

(2S,3S)-1,4-DIMETHOXY-2,3-BUTANEDIOL; EI-B; MS

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

ACCESSION: JP002454
RECORD_TITLE: (2S,3S)-1,4-DIMETHOXY-2,3-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$NAME: (2S,3S)-1,4-DIMETHOXY-2,3-BUTANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O4
CH$EXACT_MASS: 150.08921
CH$SMILES: COCC([H])(O)C([H])(O)COC
CH$IUPAC: InChI=1S/C6H14O4/c1-9-3-5(7)6(8)4-10-2/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1
CH$LINK: INCHIKEY QPXJVYUZWDGUBO-WDSKDSINSA-N
CH$LINK: COMPTOX DTXSID30448698

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 13.5 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0570-9300000000-71c97deb64dd9f130e60
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  44 24.2 242
  45 10.1 101
  58 5.4 54
  59 0.27 3
  60 9.4 94
  72 3 30
  73 8.1 81
  74 1.61 16
  75 99.99 999
  76 30.6 306
  84 2.7 27
  86 0.4 4
  87 74.2 742
  88 17.8 178
  89 24.2 242
  90 0.4 4
  100 4 40
  105 82.3 823
  106 5.4 54
  107 0.47 5
  118 13.4 134
  119 2 20
//

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