ACCESSION: MSBNK-RIKEN-PR010101
RECORD_TITLE: Putrescine; GC-EI-TOF; MS; 4 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$NAME: 1,4-Butanediamine
CH$NAME: Putrescine
CH$NAME: Tetramethylenediamine
CH$NAME: 1,4-Diaminobutane
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₄H₁₂N₂
CH$EXACT_MASS: 88.10005
CH$SMILES: NCCCCN
CH$IUPAC: InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
CH$LINK: CAS 110-60-1
CH$LINK: CHEBI 17148
CH$LINK: CHEMPDB PUT
CH$LINK: KEGG C00134
CH$LINK: NIKKAJI J1.979H
CH$LINK: PUBCHEM 3434
CH$LINK: INCHIKEY KIDHWZJUCRJVML-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4041107

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$CHROMATOGRAPHY: RETENTION_INDEX 1736.3
AC$CHROMATOGRAPHY: RETENTION_TIME 426.331 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C16H44N2Si4
MS$FOCUSED_ION: DERIVATIVE_MASS 376.25816
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-8910000000-af71049ab8358b0042ff
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
  60 22 22
  61 9 9
  69 1 1
  70 12 12
  71 12 12
  72 19 19
  73 999 999
  74 93 93
  75 26 26
  76 1 1
  77 2 2
  82 1 1
  83 3 3
  84 9 9
  85 15 15
  86 250 250
  87 27 27
  88 12 12
  89 1 1
  96 1 1
  97 4 4
  98 11 11
  99 43 43
  100 124 124
  101 23 23
  102 20 20
  103 5 5
  104 1 1
  110 9 9
  111 2 2
  112 14 14
  113 10 10
  114 31 31
  115 16 16
  116 28 28
  117 23 23
  118 6 6
  119 1 1
  124 2 2
  125 2 2
  126 37 37
  127 5 5
  128 21 21
  129 8 8
  130 72 72
  131 34 34
  132 16 16
  133 3 3
  134 1 1
  139 2 2
  140 12 12
  141 2 2
  142 35 35
  143 6 6
  144 9 9
  145 2 2
  146 38 38
  147 6 6
  148 3 3
  156 3 3
  157 1 1
  158 10 10
  159 2 2
  160 5 5
  161 4 4
  162 1 1
  170 3 3
  171 1 1
  172 42 42
  173 11 11
  174 696 696
  175 138 138
  176 66 66
  177 8 8
  178 1 1
  184 1 1
  186 5 5
  187 12 12
  188 6 6
  189 2 2
  198 2 2
  199 4 4
  200 52 52
  201 12 12
  202 6 6
  203 1 1
  213 2 2
  214 87 87
  215 20 20
  216 8 8
  217 1 1
  218 1 1
  228 3 3
  273 1 1
  361 16 16
  362 6 6
  363 3 3
  376 10 10
  377 4 4
  378 2 2
//