MassBank Record: PR010105



 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: PR010105
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$CHROMATOGRAPHY: RETENTION_INDEX 1990.6 AC$CHROMATOGRAPHY: RETENTION_TIME 479.494 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: splash10-0kdi-8970000000-e9d06e2f2c7c54d30af4 PK$NUM_PEAK: 126 PK$PEAK: m/z int. rel.int. 60 1 1 61 10 10 62 40 40 63 125 125 64 29 29 65 50 50 66 4 4 70 2 2 73 6 6 74 71 71 75 76 76 76 218 218 77 999 999 78 133 133 79 13 13 80 1 1 81 6 6 82 26 26 83 9 9 84 1 1 85 2 2 86 11 11 87 21 21 88 40 40 89 104 104 90 38 38 91 148 148 92 13 13 93 5 5 94 13 13 95 16 16 96 5 5 97 2 2 98 7 7 99 7 7 100 7 7 101 71 71 102 369 369 103 455 455 104 160 160 105 45 45 106 3 3 107 1 1 108 2 2 109 1 1 110 3 3 111 3 3 112 1 1 113 12 12 114 9 9 115 42 42 116 8 8 117 3 3 118 4 4 119 22 22 120 2 2 121 37 37 122 4 4 123 1 1 125 1 1 126 7 7 127 9 9 128 428 428 129 71 71 130 14 14 131 1 1 133 5 5 134 21 21 135 2 2 137 2 2 138 1 1 139 12 12 140 3 3 141 1 1 144 2 2 145 2 2 150 7 7 151 12 12 152 17 17 153 5 5 154 1 1 160 10 10 161 2 2 162 3 3 163 12 12 164 12 12 165 77 77 166 14 14 167 5 5 174 1 1 175 3 3 176 20 20 177 15 15 178 56 56 179 30 30 180 9 9 181 1 1 186 1 1 187 6 6 188 6 6 189 55 55 190 33 33 191 56 56 192 12 12 193 6 6 194 2 2 201 2 2 202 6 6 203 19 19 204 148 148 205 218 218 206 701 701 207 128 128 208 12 12 209 1 1 217 1 1 218 2 2 219 1 1 220 12 12 221 9 9 222 2 2 235 2 2 236 480 480 237 187 187 238 27 27 239 2 2 //