ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007960
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$SPLASH: splash10-052f-9500000000-57e2fcc41c4a57ed3e70
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  41 32.9 329
  43 99.99 999
  55 39.6 396
  58 3.73 37
  69 16 160
  74 16.5 165
  83 17.8 178
  87 2.09 21
  97 28.9 289
  98 9.8 98
  107 3.6 36
  111 0.49 5
  124 16 160
  125 50.7 507
  139 4.5 45
  144 0.31 3
  156 12 120
  157 43.6 436
  171 2.2 22
  172 0.22 2
  183 20.9 209
  184 3.1 31
  199 3.1 31
  214 1.69 17
  215 3.1 31
//