ACCESSION: MSBNK-RIKEN-PR010010
RECORD_TITLE: Cadaverine; GC-EI-TOF; MS; 4 TMS; BP:174
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$NAME: Cadaverine
CH$NAME: Pentamethylenediamine
CH$NAME: 1,5-Pentanediamine
CH$NAME: 1,5-Diaminopentane
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₅H₁₄N₂
CH$EXACT_MASS: 102.11570
CH$SMILES: NCCCCCN
CH$IUPAC: InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
CH$LINK: CAS 462-94-2
CH$LINK: CHEBI 18127
CH$LINK: CHEMPDB N2P
CH$LINK: KEGG C01672
CH$LINK: NIKKAJI J5.771A
CH$LINK: PUBCHEM 4816
CH$LINK: INCHIKEY VHRGRCVQAFMJIZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5075448

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$CHROMATOGRAPHY: RETENTION_INDEX 1836.9
AC$CHROMATOGRAPHY: RETENTION_TIME 450.124 sec

MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_FORM C17H46N2Si4
MS$FOCUSED_ION: DERIVATIVE_MASS 390.27381
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-7900000000-020b1654fcdd9f9fd0a0
PK$NUM_PEAK: 112
PK$PEAK: m/z int. rel.int.
  60 20 20
  61 8 8
  67 1 1
  69 1 1
  70 7 7
  71 10 10
  72 20 20
  73 981 981
  74 91 91
  75 26 26
  76 1 1
  77 4 4
  82 1 1
  83 2 2
  84 9 9
  85 16 16
  86 280 280
  87 29 29
  88 36 36
  89 3 3
  90 1 1
  97 3 3
  98 11 11
  99 13 13
  100 120 120
  101 20 20
  102 28 28
  103 6 6
  104 1 1
  106 1 1
  110 1 1
  111 1 1
  112 40 40
  113 12 12
  114 18 18
  115 11 11
  116 20 20
  117 20 20
  118 5 5
  119 1 1
  124 3 3
  126 10 10
  127 2 2
  128 13 13
  129 6 6
  130 67 67
  131 35 35
  132 16 16
  133 3 3
  134 1 1
  138 3 3
  139 1 1
  140 18 18
  141 3 3
  142 10 10
  143 7 7
  144 7 7
  145 3 3
  146 25 25
  147 4 4
  148 2 2
  154 12 12
  155 3 3
  156 10 10
  157 2 2
  158 20 20
  159 4 4
  160 19 19
  161 3 3
  162 1 1
  170 2 2
  171 1 1
  172 18 18
  173 4 4
  174 999 999
  175 200 200
  176 97 97
  177 12 12
  178 2 2
  180 2 2
  184 2 2
  185 1 1
  186 25 25
  187 5 5
  188 7 7
  189 1 1
  198 3 3
  199 1 1
  200 18 18
  201 5 5
  202 3 3
  212 3 3
  213 2 2
  214 7 7
  215 1 1
  216 10 10
  217 2 2
  218 1 1
  227 3 3
  228 3 3
  229 25 25
  230 7 7
  231 2 2
  374 1 1
  375 39 39
  376 16 16
  377 8 8
  378 2 2
  389 2 2
  390 5 5
  391 2 2
  392 1 1
//