ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011331
RECORD_TITLE: (+)-DIACETYL-L-TARTARIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (+)-DIACETYL-L-TARTARIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O₈
CH$EXACT_MASS: 234.03757
CH$SMILES: CC(=O)OC(C(O)=O)C(OC(C)=O)C(O)=O
CH$IUPAC: InChI=1S/C8H10O8/c1-3(9)15-5(7(11)12)6(8(13)14)16-4(2)10/h5-6H,1-2H3,(H,11,12)(H,13,14)
CH$LINK: INCHIKEY DNISEZBAYYIQFB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00276001

AC$INSTRUMENT: HITACHI M-2500
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-002r-0970000000-8f6a0e7be1d1a2e20952
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  43 9.89 99
  61 1.35 14
  76 1.19 12
  100 14.78 148
  102 1.33 13
  103 1.76 18
  118 3.62 36
  129 17.6 176
  130 2.73 27
  147 6.39 64
  151 2.03 20
  160 2.2 22
  175 62.2 622
  176 4.41 44
  189 11.36 114
  193 17.17 172
  194 1.19 12
  217 13.96 140
  218 1.3 13
  235 99.99 999
  236 10.07 101
  237 2.16 22
//