ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002983
RECORD_TITLE: METHYL-TRANS-9-DODECENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL-TRANS-9-DODECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₄O₂
CH$EXACT_MASS: 212.17763
CH$SMILES: CCC=CCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h4-5H,3,6-12H2,1-2H3/b5-4+
CH$LINK: INCHIKEY DUWQEMMRMJGHSA-SNAWJCMRSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-bf31ce96ae1beb7d708e
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  41 99.99 999
  42 18.4 184
  43 47.7 477
  44 1.08 11
  45 8.6 86
  53 12.2 122
  54 14.2 142
  55 8.62 86
  56 15 150
  57 16.4 164
  59 26.1 261
  67 2.59 26
  68 19.5 195
  69 50 500
  70 10.2 102
  71 1.29 13
  74 59 590
  75 9.7 97
  81 19 190
  82 1.43 14
  83 28.5 285
  84 22.9 229
  85 10.2 102
  87 1.09 11
  95 13.6 136
  96 26.2 262
  97 23.8 238
  98 1.69 17
  110 10.9 109
  111 9.5 95
  138 12.3 123
  163 0.61 6
  180 10.3 103
  212 7.3 73
//