ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008674
RECORD_TITLE: TRANS-2-HEXENAL; 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$NAME: TRANS-2-HEXENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O
CH$EXACT_MASS: 98.07316
CH$SMILES: CCCC=CC=O
CH$IUPAC: InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+
CH$LINK: INCHIKEY MBDOYVRWFFCFHM-SNAWJCMRSA-N
CH$LINK: COMPTOX DTXSID1041425

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$SPLASH: splash10-054o-9000000000-b289f8b06100232f2fe2
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  15 3.73 37
  26 7.42 74
  27 53.3 533
  28 7.51 75
  29 43.78 438
  31 1.8 18
  37 3.19 32
  38 9.58 96
  39 72.71 727
  40 12.42 124
  41 99.99 999
  42 56.99 570
  43 17.52 175
  44 2.03 20
  50 4.57 46
  51 5.98 60
  52 2.56 26
  53 11.66 117
  54 9.27 93
  55 63.95 640
  56 12.63 126
  57 39.75 398
  58 1.59 16
  62 1.29 13
  63 1.79 18
  65 2.53 25
  66 1 10
  67 3.46 35
  68 5.9 59
  69 53.36 534
  70 16.06 161
  71 1.37 14
  79 5.09 51
  80 6.18 62
  81 2.22 22
  83 46.74 467
  84 2.41 24
  97 7.51 75
  98 20.47 205
  99 1.43 14
//