MassBank Record: PR010106



 Chalcone; GC-EI-TOF; MS; 1 MEOX; BP:77 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010106
RECORD_TITLE: Chalcone; GC-EI-TOF; MS; 1 MEOX; BP:77
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$NAME: Chalcone CH$NAME: Benzylideneacetophenone CH$NAME: 1,3-Diphenyl-2-propen-1-one CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C15H12O CH$EXACT_MASS: 208.08882 CH$SMILES: O=C(C=Cc(c2)cccc2)c(c1)cccc1 CH$IUPAC: InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+ CH$LINK: CAS 94-41-7 CH$LINK: KEGG C01484 CH$LINK: NIKKAJI J4.699J CH$LINK: PUBCHEM 4654
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$CHROMATOGRAPHY: RETENTION_INDEX 2040.3 AC$CHROMATOGRAPHY: RETENTION_TIME 489.097 sec
MS$FOCUSED_ION: BASE_PEAK 77 MS$FOCUSED_ION: DERIVATIVE_FORM C16H15NO MS$FOCUSED_ION: DERIVATIVE_MASS 237.11536 MS$FOCUSED_ION: DERIVATIVE_TYPE 1 MEOX MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-056r-8970000000-b92152ec5263740742f5 PK$NUM_PEAK: 125 PK$PEAK: m/z int. rel.int. 60 1 1 61 10 10 62 41 41 63 128 128 64 24 24 65 52 52 66 3 3 70 2 2 73 2 2 74 74 74 75 74 74 76 217 217 77 999 999 78 137 137 79 15 15 80 2 2 81 5 5 82 24 24 83 9 9 84 1 1 85 2 2 86 10 10 87 20 20 88 38 38 89 108 108 90 41 41 91 152 152 92 13 13 93 4 4 94 12 12 95 16 16 96 5 5 97 2 2 98 7 7 99 8 8 100 8 8 101 71 71 102 373 373 103 448 448 104 151 151 105 46 46 106 4 4 107 1 1 108 3 3 109 2 2 110 3 3 111 3 3 113 11 11 114 9 9 115 42 42 116 8 8 118 4 4 119 22 22 120 3 3 121 38 38 122 3 3 125 1 1 126 7 7 127 11 11 128 439 439 129 76 76 130 15 15 131 1 1 133 5 5 134 21 21 135 2 2 137 2 2 138 1 1 139 13 13 140 3 3 144 2 2 145 1 1 149 1 1 150 7 7 151 13 13 152 17 17 153 4 4 154 1 1 160 9 9 161 2 2 162 3 3 163 13 13 164 11 11 165 77 77 166 15 15 167 5 5 168 1 1 173 1 1 174 1 1 175 3 3 176 18 18 177 15 15 178 59 59 179 32 32 180 9 9 181 1 1 186 1 1 187 4 4 188 6 6 189 52 52 190 32 32 191 54 54 192 12 12 193 6 6 194 3 3 201 1 1 202 6 6 203 19 19 204 151 151 205 224 224 206 712 712 207 128 128 208 12 12 209 1 1 217 1 1 218 2 2 219 1 1 220 12 12 221 7 7 222 3 3 235 2 2 236 493 493 237 191 191 238 27 27 239 2 2 //