ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010115
RECORD_TITLE: N-METHYL-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE-1-AMINE; 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$NAME: N-METHYL-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE-1-AMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₉N
CH$EXACT_MASS: 235.23000
CH$SMILES: CNCC=C(C)CCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C16H29N/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-17-5/h8,10,12,17H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+
CH$LINK: INCHIKEY ZPEMKPFPWVTBPX-NCZFFCEISA-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$SPLASH: splash10-014m-9100000000-bf21fca5268dc9711b6f
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  27 5 50
  28 8.5 85
  29 6 60
  30 0.94 9
  32 7.5 75
  39 6 60
  41 52 520
  42 7.7 77
  43 9 90
  44 60 600
  45 2 20
  53 0.8 8
  55 13 130
  56 5 50
  57 9 90
  58 0.4 4
  67 15 150
  68 23 230
  69 99.99 999
  70 0.9 9
  71 2 20
  77 4 40
  79 9 90
  80 1.1 11
  81 23 230
  82 15 150
  83 4 40
  84 5 50
  85 8 80
  91 5 50
  92 6 60
  93 4.9 49
  94 9 90
  95 8 80
  96 8 80
  97 0.3 3
  98 77 770
  99 13 130
  105 4 40
  106 0.2 2
  107 13 130
  108 4 40
  109 9 90
  110 2.5 25
  111 4 40
  112 2 20
  119 7 70
  120 0.4 4
  121 11 110
  122 6 60
  123 6 60
  124 0.4 4
  133 8 80
  134 3 30
  135 8 80
  136 0.6 6
  137 2 20
  147 3 30
  148 2 20
  150 0.2 2
  152 3 30
  161 4 40
  164 2 20
  166 1.7 17
  167 3 30
  189 2 20
  204 2 20
  220 0.2 2
  234 2 20
  235 13 130
  236 3 30
//