ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002975
RECORD_TITLE: TETRA-O-ACETYL-3-DEOXY-ALPHA-D-ERYTHRO-HEX-2-ENOPYRANOSE; 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$NAME: TETRA-O-ACETYL-3-DEOXY-ALPHA-D-ERYTHRO-HEX-2-ENOPYRANOSE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₈O₉
CH$EXACT_MASS: 330.09508
CH$SMILES: CC(=O)OCC([H])(O1)C([H])(OC(C)=O)C=C(OC(C)=O)C([H])(OC(C)=O)1
CH$IUPAC: InChI=1S/C14H18O9/c1-7(15)19-6-13-11(20-8(2)16)5-12(21-9(3)17)14(23-13)22-10(4)18/h5,11,13-14H,6H2,1-4H3/t11-,13+,14-/m0/s1
CH$LINK: INCHIKEY SSPYOUYEPYQDLN-YUTCNCBUSA-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$SPLASH: splash10-0002-9610000000-6518e5e3d1458a9fa912
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  54 5 50
  60 35 350
  69 32 320
  81 1.9 19
  96 13 130
  97 80 800
  98 99.99 999
  99 2 20
  100 5 50
  102 15 150
  109 45 450
  113 1 10
  126 25 250
  127 12 120
  139 15 150
  143 0.5 5
  144 25 250
  145 9 90
  155 6 60
  168 1.5 15
  169 30 300
  185 3 30
  186 12 120
  210 1 10
  211 4 40
  228 35 350
  271 5 50
  288 5 50
//