MassBank Record: KZ000207



 Fusaric acid; GC-EI-TOF; MS; 1 TMS; BP:236 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000207
RECORD_TITLE: Fusaric acid; GC-EI-TOF; MS; 1 TMS; BP:236
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01498_P000113

CH$NAME: Fusaric acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H13NO2 CH$EXACT_MASS: 179.09463 CH$SMILES: CCCCc(c1)cnc(c1)C(O)=O CH$IUPAC: InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13) CH$LINK: CAS 536-69-6 CH$LINK: KEGG C10146 CH$LINK: INCHIKEY DGMPVYSXXIOGJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023085
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 1987.2 AC$CHROMATOGRAPHY: RETENTION_TIME 914.312 sec
MS$FOCUSED_ION: BASE_PEAK 236 MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-000f-4930000000-bb92f96307f7e41bd107 PK$NUM_PEAK: 124 PK$PEAK: m/z int. rel.int. 82 12 12 83 56 56 84 56 56 85 24 24 86 20 20 87 6 6 88 7 7 89 36 36 90 46 46 91 946 946 92 371 371 93 122 122 94 28 28 95 74 74 96 22 22 97 16 16 98 7 7 99 6 6 100 8 8 101 4 4 102 32 32 103 35 35 104 219 219 105 81 81 106 203 203 107 147 147 108 32 32 109 25 25 110 15 15 111 10 10 112 2 2 113 1 1 114 1 1 115 25 25 116 25 25 117 52 52 118 55 55 119 231 231 120 65 65 121 31 31 122 33 33 123 13 13 124 7 7 125 2 2 127 1 1 128 2 2 129 1 1 130 12 12 131 7 7 132 50 50 133 18 18 134 249 249 135 71 71 136 54 54 137 13 13 138 4 4 139 1 1 143 1 1 144 1 1 145 3 3 146 10 10 147 10 10 148 31 31 149 512 512 150 113 113 151 27 27 152 6 6 153 2 2 158 1 1 160 6 6 161 2 2 162 75 75 163 24 24 164 25 25 165 112 112 166 24 24 167 7 7 168 1 1 174 2 2 175 1 1 176 8 8 177 2 2 178 32 32 179 26 26 180 34 34 181 263 263 182 42 42 183 13 13 184 1 1 188 1 1 190 3 3 191 1 1 192 141 141 193 512 512 194 178 178 195 46 46 196 8 8 197 1 1 204 1 1 205 13 13 206 100 100 207 107 107 208 95 95 209 23 23 210 5 5 211 2 2 212 1 1 218 3 3 219 1 1 220 5 5 221 1 1 222 13 13 223 45 45 224 9 9 225 3 3 234 6 6 235 6 6 236 999 999 237 205 205 238 61 61 239 8 8 250 12 12 251 15 15 252 3 3 //

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