ACCESSION: MSBNK-RIKEN-PR010235
RECORD_TITLE: Spermine; GC-EI-TOF; MS; 5 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: Spermine
CH$NAME: N,N'-Bis(3-aminopropyl)-1,4-butanediamine
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$LINK: CHEBI 15746
CH$LINK: CHEMPDB SPM
CH$LINK: KEGG C00750
CH$LINK: NIKKAJI J5.246I
CH$LINK: PUBCHEM 4012
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 2716
AC$CHROMATOGRAPHY: RETENTION_TIME 638.607 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C25H66N4Si5
MS$FOCUSED_ION: DERIVATIVE_MASS 562.41338
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-7900000000-9706a16d903df3f9e094
PK$NUM_PEAK: 234
PK$PEAK: m/z int. rel.int.
  60 21 21
  61 6 6
  62 1 1
  65 1 1
  67 5 5
  68 3 3
  69 4 4
  70 71 71
  71 15 15
  72 32 32
  73 999 999
  74 98 98
  75 18 18
  76 2 2
  81 2 2
  82 23 23
  83 16 16
  84 467 467
  85 45 45
  86 349 349
  87 38 38
  88 30 30
  89 2 2
  90 2 2
  92 2 2
  94 3 3
  95 2 2
  96 17 17
  97 7 7
  98 94 94
  99 17 17
  100 180 180
  101 30 30
  102 76 76
  103 11 11
  104 4 4
  105 1 1
  107 2 2
  108 3 3
  109 3 3
  110 26 26
  111 17 17
  112 58 58
  113 14 14
  114 40 40
  115 65 65
  116 375 375
  117 53 53
  118 21 21
  119 2 2
  120 2 2
  122 1 1
  123 1 1
  124 3 3
  125 4 4
  126 7 7
  127 4 4
  128 52 52
  129 57 57
  130 84 84
  131 21 21
  132 12 12
  134 1 1
  135 1 1
  136 1 1
  138 1 1
  139 3 3
  140 10 10
  141 6 6
  142 140 140
  143 42 42
  144 424 424
  145 61 61
  146 54 54
  147 3 3
  148 3 3
  151 2 2
  152 2 2
  154 9 9
  155 6 6
  156 42 42
  157 44 44
  158 22 22
  159 5 5
  160 99 99
  161 18 18
  162 11 11
  163 2 2
  164 2 2
  165 1 1
  167 1 1
  168 6 6
  169 3 3
  170 31 31
  171 19 19
  172 115 115
  173 23 23
  174 230 230
  175 44 44
  176 22 22
  177 4 4
  180 1 1
  181 1 1
  182 1 1
  183 4 4
  184 5 5
  185 7 7
  186 29 29
  187 13 13
  188 20 20
  189 5 5
  190 3 3
  192 1 1
  195 2 2
  197 3 3
  198 1 1
  199 3 3
  200 4 4
  201 42 42
  202 13 13
  203 5 5
  204 1 1
  211 3 3
  212 1 1
  213 3 3
  214 1 1
  215 7 7
  216 2 2
  217 1 1
  218 1 1
  219 1 1
  220 1 1
  222 1 1
  225 1 1
  227 4 4
  228 1 1
  229 3 3
  230 1 1
  231 3 3
  232 1 1
  233 1 1
  236 1 1
  238 1 1
  240 1 1
  241 2 2
  242 1 1
  243 2 2
  244 7 7
  245 3 3
  255 2 2
  256 1 1
  257 17 17
  258 4 4
  259 2 2
  270 1 1
  271 7 7
  272 2 2
  273 3 3
  274 1 1
  275 1 1
  280 1 1
  282 1 1
  284 1 1
  287 1 1
  290 1 1
  292 1 1
  293 1 1
  301 1 1
  302 1 1
  304 1 1
  307 1 1
  313 1 1
  328 1 1
  329 3 3
  330 2 2
  331 1 1
  333 1 1
  334 1 1
  336 1 1
  339 1 1
  345 1 1
  352 1 1
  355 1 1
  362 1 1
  372 2 2
  373 1 1
  378 1 1
  382 1 1
  383 1 1
  386 1 1
  387 1 1
  388 1 1
  389 1 1
  390 1 1
  392 1 1
  393 1 1
  394 1 1
  397 1 1
  398 1 1
  399 1 1
  400 1 1
  404 1 1
  435 1 1
  453 1 1
  463 1 1
  465 1 1
  468 1 1
  472 1 1
  487 1 1
  540 1 1
  543 1 1
  546 1 1
  547 2 2
  548 1 1
  549 1 1
  574 1 1
  575 1 1
  605 1 1
  636 1 1
  639 1 1
  656 1 1
  657 1 1
  662 1 1
  664 1 1
  671 1 1
  680 1 1
  681 1 1
  687 1 1
  688 1 1
  705 1 1
  724 1 1
  728 1 1
  729 1 1
  739 1 1
//