ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009821
RECORD_TITLE: 2-METHYL-2-PHENYL-4-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$NAME: 2-METHYL-2-PHENYL-4-HEXENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H16O
CH$EXACT_MASS: 188.12012
CH$SMILES: CC=CCC(C)(C=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H16O/c1-3-4-10-13(2,11-14)12-8-6-5-7-9-12/h3-9,11H,10H2,1-2H3/b4-3+
CH$LINK: INCHIKEY RXBHCNJVNOKWOX-ONEGZZNKSA-N
AC$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: splash10-05o0-3900000000-0a80c7c71836d6d8623a
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  27 6 60
  28 1.5 15
  29 5.9 59
  39 0.78 8
  41 5.7 57
  43 8.4 84
  50 2.3 23
  51 0.78 8
  52 2 20
  53 5.3 53
  55 29.8 298
  56 0.21 2
  63 3 30
  65 4.9 49
  71 1.3 13
  75 0.14 1
  76 1.6 16
  77 17.6 176
  78 6.4 64
  79 0.92 9
  81 4.6 46
  89 1.6 16
  91 26.4 264
  92 0.42 4
  97 1.1 11
  102 2.8 28
  103 11.3 113
  104 0.49 5
  105 57.1 571
  106 3.9 39
  115 9.9 99
  116 0.39 4
  117 52.2 522
  118 33.2 332
  119 4.6 46
  127 0.23 2
  128 7.6 76
  129 7.8 78
  130 4.9 49
  131 1.12 11
  132 3.5 35
  133 17.2 172
  134 99.99 999
  135 0.99 10
  141 2.4 24
  142 2.1 21
  143 3.5 35
  144 0.46 5
  145 2.8 28
  157 2.8 28
  158 1.9 19
  159 3.29 33
  160 6.2 62
  173 1.6 16
  188 13.8 138
  189 2.1 21
//
