ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008908
RECORD_TITLE: 10-UNDECENOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 10-UNDECENOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₂
CH$EXACT_MASS: 184.14633
CH$SMILES: C=CCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
CH$LINK: INCHIKEY FRPZMMHWLSIFAZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8035001

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a6u-9100000000-50cef3280113666a9e23
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  15 1.3 13
  26 1.6 16
  27 31.9 319
  28 0.79 8
  29 36.4 364
  30 1.9 19
  31 3.9 39
  39 3.53 35
  40 5.8 58
  41 91.6 916
  42 17 170
  43 1.78 18
  45 10.2 102
  51 1.8 18
  52 1.3 13
  53 1.13 11
  54 16.5 165
  55 99.99 999
  56 19.1 191
  57 0.6 6
  58 1.8 18
  59 6.5 65
  60 26.7 267
  61 0.31 3
  65 1.8 18
  66 1.6 16
  67 16.2 162
  68 2.28 23
  69 45.8 458
  70 11.5 115
  71 4.2 42
  73 2.17 22
  74 2.6 26
  77 1.6 16
  79 3.7 37
  80 0.31 3
  81 13.9 139
  82 25.1 251
  83 30.4 304
  84 1.6 16
  85 2.9 29
  86 1 10
  87 6.3 63
  88 0.1 1
  93 1.9 19
  94 3.1 31
  95 7.9 79
  96 2.02 20
  97 12.3 123
  98 9.9 99
  99 3.1 31
  100 0.73 7
  101 6.8 68
  102 1 10
  107 1 10
  109 0.31 3
  110 7.1 71
  111 3.9 39
  112 2.1 21
  113 0.26 3
  114 8.1 81
  115 2.6 26
  119 1.8 18
  122 0.92 9
  123 8.9 89
  124 14.9 149
  125 5 50
  127 0.21 2
  128 1 10
  137 4.2 42
  138 2.9 29
  141 0.13 1
  148 3.1 31
  166 6.8 68
  167 1 10
//