ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009184
RECORD_TITLE: TRANS-3-HEXENOIC ACID; 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$NAME: TRANS-3-HEXENOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₂
CH$EXACT_MASS: 114.06808
CH$SMILES: CCC=CCC(O)=O
CH$IUPAC: InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+
CH$LINK: INCHIKEY XXHDAWYDNSXJQM-ONEGZZNKSA-N
CH$LINK: COMPTOX DTXSID10883700

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$SPLASH: splash10-07do-9000000000-8b13420b30c228556186
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  15 2.8 28
  18 1.14 11
  26 4.26 43
  27 35.93 359
  28 3.95 40
  29 22 220
  31 2.15 22
  37 1.81 18
  38 4.47 45
  39 48.46 485
  40 6.35 64
  41 99.99 999
  42 19.37 194
  43 14.87 149
  44 1.77 18
  45 24.12 241
  50 3.68 37
  51 4.99 50
  52 2.76 28
  53 17.48 175
  54 8.47 85
  55 77.77 778
  56 3.81 38
  57 18.34 183
  58 2.41 24
  59 1.68 17
  60 43.71 437
  61 1.77 18
  62 1.23 12
  63 1.41 14
  65 2.32 23
  66 1.2 12
  67 9.63 96
  68 44.8 448
  69 36.25 363
  70 2.7 27
  71 5.14 51
  72 2.32 23
  73 16.04 160
  74 1.01 10
  81 3.58 36
  85 1.05 11
  86 1.18 12
  95 1.03 10
  96 4.81 48
  97 1.7 17
  99 6.82 68
  114 36.56 366
  115 2.31 23
//