ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008136
RECORD_TITLE: (Z)-9-HEXADECENAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: (Z)-9-HEXADECENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₀O
CH$EXACT_MASS: 238.22967
CH$SMILES: CCCCCCC([H])=C([H])CCCCCCCC=O
CH$IUPAC: InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,16H,2-6,9-15H2,1H3/b8-7-
CH$LINK: INCHIKEY QFPVVMKZTVQDTL-FPLPWBNLSA-N
CH$LINK: COMPTOX DTXSID5041194

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-05mo-9000000000-3e65469d3398f8004fe6
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  41 99.99 999
  42 12.27 123
  43 54.78 548
  44 8.24 82
  45 1.95 20
  51 1.46 15
  53 11.01 110
  54 30.3 303
  55 94.95 950
  56 29.1 291
  57 15.24 152
  58 2.23 22
  59 1.07 11
  65 3.16 32
  66 2.7 27
  67 40.73 407
  68 19.49 195
  69 53.28 533
  70 26.99 270
  71 8.55 86
  72 1.02 10
  77 2.34 23
  79 10.88 109
  80 9.22 92
  81 30.37 304
  82 20.74 207
  83 25.79 258
  84 12.5 125
  85 4.3 43
  86 1.01 10
  91 1.76 18
  93 5.97 60
  94 4.58 46
  95 17.29 173
  96 15.12 151
  97 15.43 154
  98 22.73 227
  99 1.68 17
  107 4.68 47
  108 2.88 29
  109 7.69 77
  110 7.17 72
  111 9.58 96
  112 4.64 46
  121 5.41 54
  122 2.1 21
  123 2.95 30
  124 1.62 16
  125 1.69 17
  135 4.44 44
  136 1.24 12
  137 1.38 14
  138 1.84 18
  149 1.46 15
  220 1.7 17
  238 1.05 11
//