ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002977
RECORD_TITLE: 3,4,6-TRI-O-ACETYL-D-GLUCAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 3,4,6-TRI-O-ACETYL-D-GLUCAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16O7
CH$EXACT_MASS: 272.08960
CH$SMILES: CC(=O)OCC(O1)C(OC(C)=O)C(C=C1)OC(C)=O
CH$IUPAC: InChI=1S/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12+/m1/s1
CH$LINK: INCHIKEY LLPWGHLVUPBSLP-UTUOFQBUSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03ds-8900000000-ffd5d4564ea9f2d7c115
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  54 6 60
  60 32 320
  68 10 100
  69 0.8 8
  73 33 330
  80 8 80
  81 40 400
  85 0.6 6
  86 27 270
  97 99 990
  102 1 10
  110 99.99 999
  127 5 50
  128 22 220
  139 90 900
  144 0.1 1
  145 7 70
  152 36 360
  170 10 100
  199 0.2 2
  229 3 30
//
