ACCESSION: MSBNK-Kazusa-KZ000269
RECORD_TITLE: Spermine; GC-EI-TOF; MS; x TMS; BP:84
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01668_P000098

CH$NAME: Spermine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₀H₂₆N₄
CH$EXACT_MASS: 202.21575
CH$SMILES: NCCCNCCCCNCCCN
CH$IUPAC: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
CH$LINK: CAS 71-44-3
CH$LINK: KEGG C00750
CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9058781

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 2640.3
AC$CHROMATOGRAPHY: RETENTION_TIME 1143.41 sec

MS$FOCUSED_ION: BASE_PEAK 84
MS$FOCUSED_ION: DERIVATIVE_TYPE x TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00s6-3900000000-d7da5cd1c0be289412ee
PK$NUM_PEAK: 134
PK$PEAK: m/z int. rel.int.
  82 54 54
  83 33 33
  84 999 999
  85 87 87
  86 625 625
  87 65 65
  88 58 58
  89 5 5
  90 3 3
  94 11 11
  95 2 2
  96 46 46
  97 15 15
  98 195 195
  99 34 34
  100 333 333
  101 60 60
  102 149 149
  103 19 19
  104 7 7
  105 1 1
  106 1 1
  107 1 1
  108 5 5
  109 7 7
  110 49 49
  111 36 36
  112 125 125
  113 30 30
  114 82 82
  115 129 129
  116 792 792
  117 113 113
  118 40 40
  119 4 4
  120 1 1
  121 1 1
  122 1 1
  124 3 3
  125 5 5
  126 13 13
  127 7 7
  128 99 99
  129 114 114
  130 163 163
  131 38 38
  132 22 22
  133 3 3
  134 1 1
  138 2 2
  139 2 2
  140 17 17
  141 10 10
  142 281 281
  143 76 76
  144 777 777
  145 105 105
  146 123 123
  147 21 21
  148 8 8
  150 1 1
  152 1 1
  153 1 1
  154 14 14
  155 8 8
  156 82 82
  157 71 71
  158 38 38
  159 8 8
  160 191 191
  161 33 33
  162 21 21
  163 3 3
  164 1 1
  168 11 11
  169 5 5
  170 62 62
  171 31 31
  172 225 225
  173 48 48
  174 408 408
  175 73 73
  176 31 31
  177 4 4
  183 4 4
  184 5 5
  185 11 11
  186 52 52
  187 20 20
  188 32 32
  189 7 7
  190 3 3
  197 3 3
  198 1 1
  199 3 3
  200 5 5
  201 75 75
  202 20 20
  203 8 8
  204 1 1
  211 4 4
  212 1 1
  213 2 2
  214 1 1
  215 9 9
  216 2 2
  217 1 1
  227 5 5
  228 1 1
  229 5 5
  230 1 1
  231 4 4
  241 1 1
  244 11 11
  245 2 2
  255 3 3
  256 1 1
  257 31 31
  258 7 7
  259 4 4
  260 1 1
  271 12 12
  272 2 2
  273 7 7
  274 1 1
  301 1 1
  302 1 1
  303 1 1
  329 5 5
  330 1 1
  345 1 1
  372 2 2
  373 1 1
  388 1 1
//