ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009234
RECORD_TITLE: CIS-3-HEXENYL 2-OXOPROPANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: CIS-3-HEXENYL 2-OXOPROPANOATE
CH$NAME: CIS-3-HEXENYL PYRUVATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₄O₃
CH$EXACT_MASS: 170.09429
CH$SMILES: CCC=CCCOC(=O)C(C)=O
CH$IUPAC: InChI=1S/C9H14O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5H,3,6-7H2,1-2H3/b5-4-
CH$LINK: INCHIKEY LKNXTZXOBHAYSR-PLNGDYQASA-N
CH$LINK: COMPTOX DTXSID20887178

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-b62ed55a2a7c2b31d8e5
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  14 3 30
  15 7.6 76
  26 1.6 16
  27 1.47 15
  29 9.1 91
  38 1.2 12
  39 19.9 199
  41 5.9 59
  42 5.7 57
  43 99.99 999
  44 2.6 26
  51 0.21 2
  52 1.4 14
  53 6.7 67
  54 5.3 53
  55 9.09 91
  56 3.6 36
  65 1.6 16
  67 32.8 328
  68 0.25 3
  69 1.5 15
  79 1.2 12
  81 11.2 112
  82 4.09 41
  83 8.1 81
  99 2.2 22
//