ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004158
RECORD_TITLE: 6-HYDROXY-N-OCTYLHEXANAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 6-HYDROXY-N-OCTYLHEXANAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₉NO₂
CH$EXACT_MASS: 243.21983
CH$SMILES: CCCCCCCCNC(=O)CCCCCO
CH$IUPAC: InChI=1S/C14H29NO2/c1-2-3-4-5-6-9-12-15-14(17)11-8-7-10-13-16/h16H,2-13H2,1H3,(H,15,17)
CH$LINK: INCHIKEY CZALATPPVHTDBF-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-007o-9510000000-0d831b1845a21dcd6e95
PK$NUM_PEAK: 151
PK$PEAK: m/z int. rel.int.
  26 1.1 11
  27 20.8 208
  28 14 140
  29 4.2 42
  30 95.2 952
  31 32 320
  32 1 10
  38 0.03 0
  39 16 160
  40 3.1 31
  41 97.2 972
  42 2.28 23
  43 76.8 768
  44 63.2 632
  45 9.6 96
  46 0.1 1
  50 0.1 1
  51 0.6 6
  52 4 40
  53 0.51 5
  54 6.1 61
  55 60.8 608
  56 18 180
  57 4.84 48
  58 26 260
  59 6.7 67
  60 14 140
  61 0.02 0
  65 0.9 9
  66 0.6 6
  67 12 120
  68 0.48 5
  69 99.99 999
  70 17.4 174
  71 26.4 264
  72 3.2 32
  73 85.2 852
  74 5 50
  75 0.4 4
  76 0.04 0
  77 0.4 4
  78 0.3 3
  79 9.2 92
  80 0.14 1
  81 2 20
  82 2.1 21
  83 5.4 54
  84 1.38 14
  85 6.1 61
  86 53.2 532
  87 36.8 368
  88 0.2 2
  89 0.2 2
  93 0.3 3
  94 0.3 3
  95 0.1 1
  96 1.8 18
  97 46.8 468
  98 12 120
  99 0.43 4
  100 50 500
  101 35.6 356
  102 3 30
  103 0.04 0
  108 0.1 1
  109 0.6 6
  110 0.8 8
  111 0.07 1
  112 5 50
  113 2.6 26
  114 52.8 528
  115 5.92 59
  116 5 50
  117 0.8 8
  118 0.1 1
  123 0.02 0
  124 0.3 3
  125 0.5 5
  126 5.5 55
  127 1.28 13
  128 30.4 304
  129 10 100
  130 10.4 104
  131 0.09 1
  132 1 10
  138 0.4 4
  139 0.5 5
  140 0.61 6
  141 3.7 37
  142 16.4 164
  143 4.1 41
  144 0.34 3
  145 42 420
  146 3.5 35
  147 0.3 3
  148 0.01 0
  149 0.6 6
  153 0.2 2
  154 14 140
  155 0.38 4
  156 34 340
  157 4.3 43
  158 18 180
  159 0.35 4
  160 0.3 3
  167 0.1 1
  168 5.3 53
  169 0.25 3
  170 2.4 24
  171 77.6 776
  172 36 360
  173 0.67 7
  174 0.6 6
  175 0.1 1
  181 0.1 1
  182 0.41 4
  183 1.6 16
  184 58.4 584
  185 7 70
  186 2.2 22
  187 4 40
  188 0.2 2
  196 4 40
  197 0.07 1
  198 12 120
  199 3.1 31
  200 13 130
  201 0.44 4
  202 0.7 7
  210 1.9 19
  211 0.3 3
  212 0.84 8
  213 5.6 56
  214 13 130
  215 2.5 25
  216 0.13 1
  217 0.2 2
  224 1 10
  225 4.1 41
  226 0.6 6
  227 1.7 17
  228 4.5 45
  229 0.8 8
  230 0.02 0
  241 0.8 8
  242 0.4 4
  243 38 380
  244 7.48 75
  245 14.8 148
  246 1.3 13
  247 0.1 1
//