ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008675
RECORD_TITLE: CIS-3-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$NAME: CIS-3-HEXENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O
CH$EXACT_MASS: 98.07316
CH$SMILES: CCC=CCC=O
CH$IUPAC: InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-
CH$LINK: INCHIKEY GXANMBISFKBPEX-ARJAWSKDSA-N
CH$LINK: COMPTOX DTXSID30884335

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$SPLASH: splash10-0006-9000000000-e5a3c79d27472fedbaa8
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 1.84 18
  26 2.48 25
  27 24.44 244
  28 1.78 18
  29 16 160
  37 1.2 12
  38 3.11 31
  39 33.82 338
  40 3.37 34
  41 99.99 999
  42 17.55 176
  43 9.49 95
  50 2.17 22
  51 2.73 27
  52 1.06 11
  53 8.93 89
  54 3.22 32
  55 22.95 230
  56 3.22 32
  57 1.29 13
  65 1.25 13
  67 2.73 27
  68 30.86 309
  70 8.01 80
  79 1.09 11
  80 5.73 57
  83 7.2 72
  97 1.11 11
  98 5.64 56
//