ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008132
RECORD_TITLE: (Z)-11-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$NAME: (Z)-11-HEXADECENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₀O
CH$EXACT_MASS: 238.22967
CH$SMILES: O=CCCCCCCCCCC([H])=C([H])CCCC
CH$IUPAC: InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3/b6-5-
CH$LINK: INCHIKEY AMTITFMUKRZZEE-WAYWQWQTSA-N
CH$LINK: COMPTOX DTXSID1032303

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$SPLASH: splash10-0aou-9100000000-ed634e4fae366099e696
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  41 71.06 711
  42 10.52 105
  43 28.56 286
  44 8.59 86
  51 1.09 11
  53 9.8 98
  54 22.16 222
  55 99.99 999
  56 23.15 232
  57 17.82 178
  58 2.94 29
  65 2.5 25
  66 2.06 21
  67 33.66 337
  68 20 200
  69 39.56 396
  70 17.27 173
  71 7.91 79
  72 1.38 14
  77 1.2 12
  79 8.05 81
  80 7.35 74
  81 30.39 304
  82 24.12 241
  83 22.72 227
  84 14.12 141
  85 4.7 47
  86 1.03 10
  93 7.46 75
  94 6.16 62
  95 23.42 234
  96 19.99 200
  97 17.3 173
  98 23.19 232
  99 2.55 26
  107 4.67 47
  108 4.62 46
  109 8.94 89
  110 6 60
  111 10.86 109
  112 8.05 81
  113 1.38 14
  121 7.81 78
  122 3.07 31
  123 3.91 39
  124 4.79 48
  125 3.94 39
  126 1.17 12
  135 4.69 47
  136 2.91 29
  137 1.52 15
  138 2.92 29
  149 1.55 16
  150 1.35 14
  220 6.7 67
  221 1.04 10
  238 2.86 29
//