ACCESSION: MSBNK-Kazusa-KZ000266
RECORD_TITLE: Spermidine; GC-EI-TOF; MS; 5 TMS; BP:73
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_04900_P000023

CH$NAME: Spermidine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₇H₁₉N₃
CH$EXACT_MASS: 145.15790
CH$SMILES: NCCCCNCCCN
CH$IUPAC: InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
CH$LINK: CAS 124-20-9
CH$LINK: KEGG C00315
CH$LINK: INCHIKEY ATHGHQPFGPMSJY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4036645

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 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 1919.82 sec

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

PK$SPLASH: splash10-00di-5910000000-48794a2dc9d682aab28f
PK$NUM_PEAK: 158
PK$PEAK: m/z int. rel.int.
  42 5 5
  43 9 9
  44 4 4
  45 92 92
  46 4 4
  55 18 18
  56 2 2
  57 2 2
  58 6 6
  59 144 144
  60 8 8
  61 3 3
  70 5 5
  71 6 6
  73 999 999
  74 44 44
  75 8 8
  82 2 2
  84 19 19
  85 6 6
  86 159 159
  87 22 22
  88 8 8
  89 1 1
  98 2 2
  99 18 18
  100 50 50
  101 19 19
  102 26 26
  103 3 3
  104 1 1
  110 1 1
  112 3 3
  113 2 2
  114 26 26
  115 47 47
  116 312 312
  117 42 42
  118 13 13
  119 1 1
  124 1 1
  126 10 10
  127 2 2
  128 21 21
  129 13 13
  130 22 22
  131 7 7
  132 2 2
  140 9 9
  141 5 5
  142 59 59
  144 259 259
  145 79 79
  146 22 22
  154 25 25
  155 1 1
  156 215 215
  157 102 102
  158 17 17
  160 29 29
  161 6 6
  168 5 5
  169 1 1
  170 128 128
  171 20 20
  172 53 53
  173 18 18
  174 486 486
  175 93 93
  176 42 42
  182 3 3
  183 36 36
  184 14 14
  185 7 7
  186 58 58
  187 17 17
  188 13 13
  189 3 3
  190 1 1
  198 5 5
  199 2 2
  200 8 8
  201 142 142
  202 33 33
  203 13 13
  204 2 2
  209 1 1
  212 4 4
  213 4 4
  214 143 143
  215 37 37
  216 23 23
  217 5 5
  218 4 4
  219 1 1
  220 1 1
  225 1 1
  226 3 3
  227 5 5
  228 5 5
  229 8 8
  230 4 4
  231 2 2
  232 2 2
  233 1 1
  234 1 1
  238 1 1
  239 1 1
  240 1 1
  241 5 5
  242 3 3
  243 8 8
  244 4 4
  245 3 3
  246 1 1
  247 1 1
  252 1 1
  253 1 1
  254 1 1
  255 4 4
  256 1 1
  259 4 4
  260 2 2
  261 1 1
  269 1 1
  270 1 1
  271 1 1
  273 3 3
  274 1 1
  275 1 1
  287 1 1
  301 2 2
  302 1 1
  303 51 51
  304 16 16
  305 7 7
  306 1 1
  315 7 7
  316 3 3
  317 43 43
  318 13 13
  319 5 5
  320 1 1
  329 3 3
  330 1 1
  331 4 4
  332 1 1
  343 6 6
  344 61 61
  345 20 20
  346 9 9
  347 2 2
  489 6 6
  490 58 58
  491 28 28
  492 14 14
  493 4 4
  494 1 1
//