ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005243
RECORD_TITLE: METHYL 10-OXOUNDECANOATE; EI-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$NAME: METHYL 10-OXOUNDECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₃
CH$EXACT_MASS: 214.15689
CH$SMILES: COC(=O)CCCCCCCCC(C)=O
CH$IUPAC: InChI=1S/C12H22O3/c1-11(13)9-7-5-3-4-6-8-10-12(14)15-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY TXRMRSKJQBFMRQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40334093

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-052f-9500000000-d3f1872020188a478eda
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  41 32.9 329
  43 99.99 999
  44 3.3 33
  55 3.96 40
  56 2 20
  58 37.3 373
  59 1.9 19
  69 1.6 16
  74 16.5 165
  83 17.8 178
  87 20.9 209
  97 2.89 29
  98 9.8 98
  107 3.6 36
  111 4.9 49
  124 1.6 16
  125 50.7 507
  126 4.1 41
  139 4.5 45
  144 0.31 3
  156 12 120
  157 43.6 436
  158 4.4 44
  171 0.22 2
  172 2.2 22
  183 20.9 209
  184 3.1 31
  199 0.31 3
  214 16.9 169
  215 3.1 31
//