ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009182
RECORD_TITLE: TRANS-2-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$NAME: TRANS-2-HEXENOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₂
CH$EXACT_MASS: 114.06808
CH$SMILES: CCCC=CC(O)=O
CH$IUPAC: InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+
CH$LINK: INCHIKEY NIONDZDPPYHYKY-SNAWJCMRSA-N
CH$LINK: COMPTOX DTXSID60884601

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$SPLASH: splash10-0096-9000000000-800bed3e63b70dd66688
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  15 2.89 29
  18 1.03 10
  26 5.72 57
  27 45.76 458
  28 3.54 35
  29 39.66 397
  30 1.09 11
  31 3.49 35
  37 2.25 23
  38 6.36 64
  39 55.89 559
  40 13.97 140
  41 58.57 586
  42 63.4 634
  43 19.37 194
  44 2.17 22
  45 18.96 190
  50 2.97 30
  51 4.62 46
  52 1.94 19
  53 11.05 111
  54 4.01 40
  55 37.83 378
  56 4.38 44
  57 8.59 86
  58 3.58 36
  59 6.57 66
  60 14.82 148
  61 1.32 13
  62 1.05 11
  63 1.31 13
  65 1.91 19
  66 1.51 15
  67 6.05 61
  68 32.9 329
  69 15.41 154
  70 1.67 17
  71 5.22 52
  72 1.22 12
  73 99.99 999
  74 3.13 31
  81 7.84 78
  85 2.21 22
  86 4.64 46
  87 1.01 10
  95 1.53 15
  96 4.65 47
  97 3.05 31
  99 26.79 268
  100 1.75 18
  114 17.73 177
  115 1.42 14
//