ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011565
RECORD_TITLE: DL-MANDERIC 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$NAME: DL-MANDERIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₃
CH$EXACT_MASS: 152.04734
CH$SMILES: OC(=O)C(O)c(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
CH$LINK: COMPTOX DTXSID6023234
CH$LINK: INCHIKEY IWYDHOAUDWTVEP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:1292

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-4900000000-1e5d0346e089a29e7909
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  28 1 10
  29 0.9 9
  44 0.6 6
  51 0.5 5
  75 0.6 6
  77 11.8 118
  78 2 20
  79 36.9 369
  80 2.9 29
  89 0.8 8
  90 3.3 33
  91 0.8 8
  105 3.5 35
  106 3.2 32
  107 99.99 999
  108 9.2 92
  109 0.8 8
  152 10.4 104
  153 1.2 12
//