ACCESSION: MSBNK-RIKEN-PR010223
RECORD_TITLE: N-Acetylputrescine; GC-EI-TOF; MS; 2 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$NAME: N-acetyl putrescine
CH$NAME: N-Acetylputrescine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₄N₂O
CH$EXACT_MASS: 130.11061
CH$SMILES: NCCCCNC(C)=O
CH$IUPAC: InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)
CH$LINK: CAS 18233-70-0
CH$LINK: CHEBI 17768
CH$LINK: KEGG C02714
CH$LINK: PUBCHEM 5677
CH$LINK: INCHIKEY KLZGKIDSEJWEDW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80205596

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$CHROMATOGRAPHY: RETENTION_INDEX 1715.7
AC$CHROMATOGRAPHY: RETENTION_TIME 455.259 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C12H30N2OSi2
MS$FOCUSED_ION: DERIVATIVE_MASS 274.18967
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9700000000-99b6d1613ba71642630c
PK$NUM_PEAK: 130
PK$PEAK: m/z int. rel.int.
  60 22 22
  61 19 19
  62 2 2
  63 2 2
  65 1 1
  66 4 4
  67 2 2
  68 3 3
  69 7 7
  70 42 42
  71 14 14
  72 42 42
  73 999 999
  74 108 108
  75 96 96
  76 10 10
  77 21 21
  78 4 4
  79 25 25
  80 2 2
  81 1 1
  82 10 10
  83 5 5
  84 163 163
  85 22 22
  86 174 174
  87 22 22
  88 10 10
  89 2 2
  94 2 2
  95 1 1
  96 8 8
  97 3 3
  98 10 10
  99 19 19
  100 111 111
  101 25 25
  102 78 78
  103 13 13
  104 4 4
  105 1 1
  109 2 2
  110 2 2
  111 1 1
  112 11 11
  113 8 8
  114 20 20
  115 13 13
  116 51 51
  117 36 36
  118 6 6
  119 5 5
  121 1 1
  124 1 1
  126 10 10
  127 2 2
  128 43 43
  129 26 26
  130 56 56
  131 33 33
  132 13 13
  133 39 39
  134 6 6
  135 3 3
  140 5 5
  141 2 2
  142 53 53
  143 11 11
  144 51 51
  145 11 11
  146 33 33
  147 60 60
  148 11 11
  149 5 5
  150 1 1
  154 1 1
  156 7 7
  157 4 4
  158 26 26
  159 120 120
  160 20 20
  161 6 6
  162 1 1
  168 1 1
  169 1 1
  170 7 7
  171 2 2
  172 44 44
  173 11 11
  174 344 344
  175 63 63
  176 31 31
  177 4 4
  178 1 1
  183 22 22
  184 9 9
  185 4 4
  186 33 33
  187 7 7
  188 4 4
  189 1 1
  190 5 5
  191 1 1
  200 36 36
  201 35 35
  202 11 11
  203 5 5
  204 2 2
  213 2 2
  214 7 7
  215 2 2
  216 7 7
  217 1 1
  218 1 1
  230 1 1
  243 5 5
  244 1 1
  245 1 1
  248 4 4
  249 1 1
  273 10 10
  274 2 2
  275 1 1
  330 1 1
  331 20 20
  332 6 6
  333 3 3
  346 6 6
  347 2 2
  348 1 1
//