ACCESSION: MSBNK-RIKEN-PR010234
RECORD_TITLE: Spermidine; 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$NAME: Spermidine
CH$NAME: N-(3-Aminopropyl)-1,4-butane-diamine
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$LINK: CHEBI 16610
CH$LINK: CHEMPDB SPD
CH$LINK: KEGG C00315
CH$LINK: NIKKAJI J10.054D
CH$LINK: PUBCHEM 3609
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 2252.6
AC$CHROMATOGRAPHY: RETENTION_TIME 561.949 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C22H59N3Si5
MS$FOCUSED_ION: DERIVATIVE_MASS 505.35553
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-6900000000-56396208515d9020bfeb
PK$NUM_PEAK: 110
PK$PEAK: m/z int. rel.int.
  60 17 17
  61 7 7
  66 1 1
  67 1 1
  69 1 1
  70 15 15
  71 9 9
  72 26 26
  73 999 999
  74 96 96
  75 30 30
  76 2 2
  77 8 8
  78 1 1
  79 3 3
  80 1 1
  81 1 1
  82 7 7
  83 3 3
  84 33 33
  85 12 12
  86 266 266
  87 29 29
  88 16 16
  89 1 1
  96 4 4
  97 2 2
  98 9 9
  99 22 22
  100 135 135
  101 32 32
  102 40 40
  103 6 6
  104 2 2
  110 5 5
  111 1 1
  112 13 13
  113 8 8
  114 32 32
  115 57 57
  116 290 290
  117 46 46
  118 14 14
  119 2 2
  124 1 1
  125 1 1
  126 21 21
  127 5 5
  128 42 42
  129 28 28
  130 67 67
  131 21 21
  132 11 11
  133 2 2
  140 13 13
  141 4 4
  142 69 69
  143 12 12
  144 371 371
  145 52 52
  146 50 50
  147 7 7
  148 3 3
  154 25 25
  155 7 7
  156 141 141
  157 58 58
  158 21 21
  159 4 4
  160 107 107
  161 20 20
  162 8 8
  163 1 1
  168 3 3
  169 1 1
  170 60 60
  171 11 11
  172 85 85
  173 17 17
  174 229 229
  175 43 43
  176 20 20
  177 2 2
  182 1 1
  183 8 8
  184 4 4
  185 2 2
  186 19 19
  187 6 6
  188 5 5
  189 1 1
  198 2 2
  199 1 1
  200 10 10
  201 30 30
  202 7 7
  203 3 3
  214 17 17
  215 5 5
  216 3 3
  229 1 1
  243 1 1
  303 4 4
  304 1 1
  317 3 3
  318 1 1
  344 3 3
  345 1 1
  490 2 2
  491 1 1
//