ACCESSION: MSBNK-RIKEN-PR010236
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$CHROMATOGRAPHY: RETENTION_INDEX 2743.7
AC$CHROMATOGRAPHY: RETENTION_TIME 643.491 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$SPLASH: splash10-00di-5900000000-eb1574dc4aea2972932b
PK$NUM_PEAK: 132
PK$PEAK: m/z int. rel.int.
  60 15 15
  61 6 6
  66 1 1
  67 2 2
  68 1 1
  69 1 1
  70 16 16
  71 8 8
  72 24 24
  73 999 999
  74 92 92
  75 29 29
  76 2 2
  77 8 8
  78 1 1
  79 2 2
  80 1 1
  81 1 1
  82 9 9
  83 6 6
  84 88 88
  85 13 13
  86 325 325
  87 34 34
  88 21 21
  89 2 2
  90 1 1
  94 2 2
  95 1 1
  96 6 6
  97 2 2
  98 12 12
  99 7 7
  100 144 144
  101 30 30
  102 67 67
  103 9 9
  104 2 2
  108 1 1
  109 1 1
  110 10 10
  111 2 2
  112 16 16
  113 8 8
  114 40 40
  115 34 34
  116 537 537
  117 73 73
  118 23 23
  119 2 2
  122 1 1
  124 1 1
  125 1 1
  126 7 7
  127 3 3
  128 40 40
  129 74 74
  130 99 99
  131 23 23
  132 9 9
  133 1 1
  138 1 1
  139 1 1
  140 16 16
  141 7 7
  142 120 120
  143 22 22
  144 464 464
  145 63 63
  146 50 50
  147 7 7
  148 3 3
  152 2 2
  153 1 1
  154 18 18
  155 6 6
  156 138 138
  157 27 27
  158 17 17
  159 3 3
  160 155 155
  161 28 28
  162 12 12
  163 1 1
  168 8 8
  169 3 3
  170 42 42
  171 8 8
  172 85 85
  173 17 17
  174 264 264
  175 49 49
  176 23 23
  177 3 3
  180 1 1
  182 5 5
  183 7 7
  184 6 6
  185 3 3
  186 21 21
  187 5 5
  188 6 6
  189 1 1
  199 1 1
  200 2 2
  201 41 41
  202 11 11
  203 4 4
  204 1 1
  213 1 1
  215 2 2
  216 1 1
  229 1 1
  242 1 1
  243 2 2
  255 1 1
  259 3 3
  269 1 1
  271 1 1
  273 1 1
  299 6 6
  300 1 1
  301 1 1
  303 4 4
  304 1 1
  329 15 15
  330 5 5
  331 2 2
  343 1 1
  345 2 2
  346 1 1
  619 1 1
//