ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003379
RECORD_TITLE: DIBUTYL TARTRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: DIBUTYL TARTRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₆
CH$EXACT_MASS: 262.14164
CH$SMILES: CCCCOC(=O)C(O)C(O)C(=O)OCCCC
CH$IUPAC: InChI=1S/C12H22O6/c1-3-5-7-17-11(15)9(13)10(14)12(16)18-8-6-4-2/h9-10,13-14H,3-8H2,1-2H3
CH$LINK: INCHIKEY PCYQQSKDZQTOQG-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9200000000-55a28e387acb5f12b83b
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  43 13 130
  44 7.2 72
  45 2.8 28
  49 2.1 21
  50 2.2 22
  51 2.2 22
  53 4.1 41
  54 2.37 24
  55 64.9 649
  56 94.6 946
  57 5.4 54
  58 0.46 5
  59 13.8 138
  60 2.7 27
  71 5.1 51
  76 99.99 999
  77 22.3 223
  87 2.4 24
  89 9 90
  101 0.36 4
  105 87.2 872
  106 3.1 31
  131 2.1 21
  132 9.17 92
  133 6 60
  143 2.3 23
  151 3.4 34
  161 2.34 23
  263 10.7 107
//