MassBank Record: PR010010



 Cadaverine; GC-EI-TOF; MS; 4 TMS; BP:174 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$LINK: PUBCHEM 4816
AC$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 //