ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001177
RECORD_TITLE: PERACETYLATED GALACTOSYL-(BETA1,4)-GLUCITOL; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: PERACETYLATED GALACTOSYL-(BETA1,4)-GLUCITOL
CH$NAME: PERACETYLATED LACTITOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₀H₄₂O₂₀
CH$EXACT_MASS: 722.22694
CH$SMILES: O(C(C)=O)C(C([H])1OC(C)=O)([H])C(OC([H])(C1([H])OC(C)=O)COC(C)=O)(OC(C(COC(C)=O)([H])OC(C)=O)([H])C(OC(C)=O)([H])C(OC(C)=O)([H])COC(C)=O)[H]
CH$IUPAC: InChI=1S/C30H42O20/c1-13(31)40-10-22(43-16(4)34)25(45-18(6)36)26(23(44-17(5)35)11-41-14(2)32)50-30-29(48-21(9)39)28(47-20(8)38)27(46-19(7)37)24(49-30)12-42-15(3)33/h22-30H,10-12H2,1-9H3/t22-,23?,24?,25+,26+,27-,28?,29-,30-/m0/s1
CH$LINK: INCHIKEY QXJVGLXOXOQUHQ-QDPWPMGESA-N

AC$INSTRUMENT: SHIMADZU LKB-9000
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 500 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-001i-0009000000-e54e5fa358d01b4ef6e5
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  111 0.42 4
  125 0.21 2
  153 0.83 8
  157 0.43 4
  169 0.48 5
  187 0.94 9
  189 0.15 2
  213 0.42 4
  222 0.49 5
  235 0.22 2
  257 0.26 3
  273 2.08 21
  317 0.26 3
  331 99.99 999
  332 1.05 11
  333 2.14 21
  375 2.43 24
  376 0.53 5
  403 0.08 1
  439 0.05 1
  547 0.03 0
  606 0.03 0
  663 1.8 18
//