ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002980
RECORD_TITLE: 1,3,4,5,7-PENTA-O-ACETYL-2,6-ANHYDRO-D-GLYCERO-D-GULO-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$NAME: 1,3,4,5,7-PENTA-O-ACETYL-2,6-ANHYDRO-D-GLYCERO-D-GULO-HEPTITOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₄O₁₁
CH$EXACT_MASS: 404.13186
CH$SMILES: CC(=O)OCC([H])(O1)C([H])(OC(C)=O)C([H])(OC(C)=O)C([H])(OC(C)=O)C([H])(COC(C)=O)1
CH$IUPAC: InChI=1S/C17H24O11/c1-8(18)23-6-13-15(25-10(3)20)17(27-12(5)22)16(26-11(4)21)14(28-13)7-24-9(2)19/h13-17H,6-7H2,1-5H3
CH$LINK: INCHIKEY NSESSVVOVAHLTQ-UHFFFAOYSA-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$SPLASH: splash10-01wk-6960000000-ba9aae63a11235e881cb
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  69 55.5 555
  73 22.7 227
  81 40.9 409
  84 0.45 5
  86 13.6 136
  97 90.9 909
  100 4.5 45
  102 2.27 23
  111 18.2 182
  112 18.2 182
  124 2.7 27
  135 0.09 1
  136 1.8 18
  139 72.7 727
  140 36.4 364
  141 2.27 23
  145 54.5 545
  148 2.7 27
  158 7.3 73
  178 0.09 1
  182 90.9 909
  200 11.8 118
  201 2.7 27
  206 0.09 1
  211 90.9 909
  213 4.5 45
  224 99.99 999
  242 2.73 27
  243 4.5 45
  284 4.5 45
  302 1.8 18
  344 1.8 18
//