ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009818
RECORD_TITLE: 2-AMINO-3,7-DIMETHYL-6-OCTENE-1,3-DIOL; 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$NAME: 2-AMINO-3,7-DIMETHYL-6-OCTENE-1,3-DIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H21NO2
CH$EXACT_MASS: 187.15723
CH$SMILES: OCC(N)C(C)(O)CCC=C(C)C
CH$IUPAC: InChI=1S/C10H21NO2/c1-8(2)5-4-6-10(3,13)9(11)7-12/h5,9,12-13H,4,6-7,11H2,1-3H3
CH$LINK: INCHIKEY MYZAIZLYFVZBRQ-UHFFFAOYSA-N
AC$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: splash10-0006-9200000000-48702953e0bfab1e90d8
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  27 4.7 47
  28 1.6 16
  29 3.7 37
  39 0.71 7
  40 1.8 18
  41 37 370
  42 3 30
  43 99.99 999
  44 2.8 28
  53 5.5 55
  54 1.6 16
  55 1.1 11
  56 1.5 15
  57 1.3 13
  59 3.7 37
  67 1.91 19
  68 9.3 93
  69 45.3 453
  70 6.3 63
  71 0.95 10
  72 1.4 14
  73 1.4 14
  77 1.8 18
  79 0.49 5
  80 1.3 13
  81 11.5 115
  82 25.8 258
  83 0.59 6
  84 5 50
  85 5.1 51
  86 1.4 14
  87 0.87 9
  88 5.8 58
  91 1.9 19
  93 4.7 47
  94 0.29 3
  95 12 120
  96 2 20
  97 2.5 25
  101 0.32 3
  103 12.3 123
  105 1.1 11
  107 1.9 19
  108 0.11 1
  109 44.1 441
  110 8.1 81
  111 1.7 17
  112 0.13 1
  119 5.2 52
  121 2.7 27
  123 1.4 14
  127 0.11 1
  129 1.8 18
  130 2.5 25
  134 5.6 56
  137 0.28 3
  139 1.4 14
  152 2.8 28
  169 1 10
//
