ACCESSION: MSBNK-Kazusa-KZ000268
RECORD_TITLE: Spermine; GC-EI-TOF; MS; x TMS; BP:116
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_P000091

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 2593.7
AC$CHROMATOGRAPHY: RETENTION_TIME 1129.11 sec

MS$FOCUSED_ION: BASE_PEAK 116
MS$FOCUSED_ION: DERIVATIVE_TYPE x TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-014u-1900000000-e9620319823eaecceccc
PK$NUM_PEAK: 142
PK$PEAK: m/z int. rel.int.
  82 20 20
  83 13 13
  84 219 219
  85 28 28
  86 549 549
  87 58 58
  88 39 39
  89 4 4
  90 1 1
  93 1 1
  94 6 6
  95 2 2
  96 17 17
  97 5 5
  98 34 34
  99 15 15
  100 262 262
  101 56 56
  102 121 121
  103 16 16
  104 5 5
  106 1 1
  108 3 3
  109 4 4
  110 17 17
  111 7 7
  112 35 35
  113 16 16
  114 78 78
  115 68 68
  116 999 999
  117 135 135
  118 43 43
  119 4 4
  120 1 1
  122 1 1
  123 1 1
  124 2 2
  125 2 2
  126 12 12
  127 6 6
  128 69 69
  129 128 128
  130 174 174
  131 37 37
  132 15 15
  133 2 2
  134 1 1
  136 1 1
  138 1 1
  139 1 1
  140 24 24
  141 11 11
  142 221 221
  143 41 41
  144 712 712
  145 100 100
  146 102 102
  147 14 14
  148 6 6
  150 1 1
  152 2 2
  153 1 1
  154 29 29
  155 9 9
  156 234 234
  157 46 46
  158 28 28
  159 5 5
  160 258 258
  161 46 46
  162 21 21
  163 2 2
  168 13 13
  169 5 5
  170 75 75
  171 16 16
  172 170 170
  173 34 34
  174 450 450
  175 85 85
  176 37 37
  177 4 4
  178 1 1
  180 1 1
  182 11 11
  183 12 12
  184 11 11
  185 6 6
  186 42 42
  187 11 11
  188 14 14
  189 3 3
  190 1 1
  197 1 1
  198 1 1
  199 2 2
  200 5 5
  201 78 78
  202 21 21
  203 8 8
  204 1 1
  211 1 1
  212 1 1
  213 1 1
  214 1 1
  215 4 4
  216 1 1
  227 1 1
  228 1 1
  229 3 3
  230 1 1
  231 1 1
  237 1 1
  241 1 1
  242 1 1
  243 3 3
  244 2 2
  245 2 2
  255 2 2
  256 1 1
  257 4 4
  258 1 1
  259 7 7
  260 1 1
  269 1 1
  270 1 1
  271 3 3
  273 2 2
  299 10 10
  300 3 3
  301 1 1
  303 7 7
  304 2 2
  328 1 1
  329 26 26
  330 8 8
  331 4 4
  332 1 1
  343 1 1
  345 6 6
  346 2 2
//