MassBank Record: PR010101



 Putrescine; GC-EI-TOF; MS; 4 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$LINK: PUBCHEM 3434
AC$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 //