ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002978
RECORD_TITLE: 1,4,5,7-TETRA-O-ACETYL-2,6-ANHYDRO-3-DEOXY-D-GLUCO-HEPTITOL; 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$NAME: 1,4,5,7-TETRA-O-ACETYL-2,6-ANHYDRO-3-DEOXY-D-GLUCO-HEPTITOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₂O₉
CH$EXACT_MASS: 346.12638
CH$SMILES: CC(=O)OCC([H])(O1)CC([H])(OC(C)=O)C([H])(OC(C)=O)C([H])(COC(C)=O)1
CH$IUPAC: InChI=1S/C15H22O9/c1-8(16)20-6-12-5-13(22-10(3)18)15(23-11(4)19)14(24-12)7-21-9(2)17/h12-15H,5-7H2,1-4H3/t12-,13-,14-,15+/m1/s1
CH$LINK: INCHIKEY BWUOHRDTHUBKLA-TUVASFSCSA-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$SPLASH: splash10-0gx0-3900000000-bd4d6e5ae5f71ab1ac77
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  51 2.2 22
  54 17.8 178
  62 2.2 22
  67 0.67 7
  69 55.6 556
  70 13.3 133
  80 2.2 22
  81 3.11 31
  83 53.3 533
  84 11.1 111
  85 4.4 44
  93 5.78 58
  95 11.1 111
  99 26.7 267
  100 77.8 778
  102 1.78 18
  103 28.9 289
  110 6.7 67
  111 88.9 889
  112 1.33 13
  122 2.2 22
  124 66.7 667
  142 28.9 289
  144 0.67 7
  145 13.3 133
  153 33.3 333
  155 4.4 44
  166 2.22 22
  171 13.3 133
  184 99.99 999
  185 22.2 222
  201 1.78 18
  213 22.2 222
  226 11.1 111
  244 2.2 22
  273 0.22 2
  286 2.2 22
//