ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002979
RECORD_TITLE: 1,4,5,7-TETRA-O-ACETYL-2,6-ANHYDRO-3-DEOXY-D-MANNO-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$NAME: 1,4,5,7-TETRA-O-ACETYL-2,6-ANHYDRO-3-DEOXY-D-MANNO-HEPTITOL
CH$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-/m0/s1
CH$LINK: INCHIKEY BWUOHRDTHUBKLA-YJNKXOJESA-N
AC$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$SPLASH: splash10-0jc0-9600000000-86890f726ed355f8254b
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  51 5 50
  54 23 230
  58 10 100
  62 0.3 3
  69 99 990
  70 25 250
  71 40 400
  72 1 10
  80 16 160
  81 30 300
  83 60 600
  93 0.6 6
  95 13 130
  99 15 150
  100 40 400
  110 0.6 6
  111 99.99 999
  112 20 200
  122 1 10
  124 5 50
  141 3 30
  142 9 90
  145 5 50
  153 3.5 35
  166 12 120
  171 8 80
  184 25 250
  185 0.5 5
  201 2 20
  213 20 200
  226 2 20
  273 0.1 1
  286 1 10
//
