ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010134
RECORD_TITLE: N-(3,7-DIMETHYL-2,6-OCTADIENYL)-CAPROLACTAM; 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$NAME: N-(3,7-DIMETHYL-2,6-OCTADIENYL)-CAPROLACTAM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₇NO
CH$EXACT_MASS: 249.20926
CH$SMILES: CC(C)=CCCC(C)=CCN(C1)C(=O)CCCC1
CH$IUPAC: InChI=1S/C16H27NO/c1-14(2)8-7-9-15(3)11-13-17-12-6-4-5-10-16(17)18/h8,11H,4-7,9-10,12-13H2,1-3H3/b15-11+
CH$LINK: INCHIKEY IZUPQLMOLYRSQK-RVDMUPIBSA-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$SPLASH: splash10-001i-9800000000-f1518ec26692b6276387
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  27 4 40
  29 4 40
  30 3 30
  39 0.5 5
  40 1 10
  41 37 370
  42 7 70
  43 0.5 5
  44 4 40
  53 6 60
  54 2 20
  55 2.2 22
  56 4 40
  57 2 20
  65 1 10
  66 0.1 1
  67 10 100
  68 7 70
  69 36 360
  70 0.4 4
  71 2 20
  77 2 20
  79 4 40
  80 0.5 5
  81 9 90
  82 4 40
  83 3 30
  84 0.8 8
  85 7 70
  91 4 40
  92 2 20
  93 1 10
  94 3 30
  95 4 40
  96 27 270
  97 0.3 3
  98 20 200
  99 3 30
  105 1 10
  107 0.3 3
  108 2 20
  109 1 10
  110 1 10
  112 0.3 3
  113 1 10
  114 21 210
  115 2 20
  119 0.1 1
  121 10 100
  122 2 20
  124 1 10
  126 3.7 37
  127 6 60
  128 1 10
  135 1 10
  136 0.9 9
  137 1 10
  138 21 210
  139 2 20
  140 0.1 1
  143 2 20
  150 1 10
  152 5 50
  164 0.1 1
  166 7 70
  167 3 30
  178 2 20
  179 0.3 3
  180 99.99 999
  181 14 140
  182 1 10
  192 0.3 3
  206 3 30
  207 1 10
  234 1 10
  249 1.7 17
  250 3 30
//