ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010928
RECORD_TITLE: 5-METHYL-6-ISOPROPYL-2-HEXENAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 5-METHYL-6-ISOPROPYL-2-HEXENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O
CH$EXACT_MASS: 154.13577
CH$SMILES: O=CC=CCC(C)CC(C)C
CH$IUPAC: InChI=1S/C10H18O/c1-9(2)8-10(3)6-4-5-7-11/h4-5,7,9-10H,6,8H2,1-3H3/b5-4+
CH$LINK: INCHIKEY LALGZGJSCVIMDQ-SNAWJCMRSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-01oy-9300000000-2eeca73257c76be9bc4f
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  27 18.8 188
  29 10.8 108
  38 1.4 14
  39 28.1 281
  40 3.9 39
  41 75.9 759
  42 6.1 61
  43 82.9 829
  44 1.1 11
  51 4.5 45
  52 0.4 4
  53 14 140
  54 2.2 22
  55 47.2 472
  56 33.4 334
  57 12.3 123
  58 0.1 1
  59 2.9 29
  65 5.8 58
  66 2.2 22
  67 18.1 181
  68 4.6 46
  69 79.2 792
  70 12 120
  71 4.3 43
  77 8.6 86
  78 1 10
  79 20.2 202
  80 2 20
  81 19.4 194
  82 2.8 28
  83 38.1 381
  84 5.6 56
  85 9.2 92
  91 4.5 45
  92 1 10
  93 17 170
  94 2.3 23
  95 15.6 156
  96 1.9 19
  97 99.99 999
  98 14.7 147
  99 18.8 188
  111 90.6 906
  112 29.8 298
  113 2 20
  121 34.5 345
  122 2.8 28
  123 8.9 89
  125 1 10
  139 66.9 669
  140 6.2 62
  154 37.5 375
  155 4.4 44
//