MassBank Record: MSBNK-RIKEN-PR010223
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
//
system version 2.2.8-SNAPSHOT