MassBank Record: JP002769



 6-DIMETHYLAMINO-4,4-DIPHENYL-3-HEPTANONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002769
RECORD_TITLE: 6-DIMETHYLAMINO-4,4-DIPHENYL-3-HEPTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 6-DIMETHYLAMINO-4,4-DIPHENYL-3-HEPTANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H27NO CH$EXACT_MASS: 309.20926 CH$SMILES: CN(C)C(C)CC(C(=O)CC)(c(c2)cccc2)c(c1)cccc1 CH$IUPAC: InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-9310000000-d71659ee33e210178a79 PK$NUM_PEAK: 170 PK$PEAK: m/z int. rel.int. 25 1.2 12 26 2.6 26 27 5.2 52 28 3.09 31 29 5.3 53 30 1.7 17 32 2.2 22 37 0.07 1 38 1 10 39 3.2 32 40 1.4 14 41 0.36 4 42 7.8 78 43 2.8 28 44 5.7 57 45 0.14 1 50 1.4 14 51 3 30 52 1.4 14 53 0.01 0 54 1.2 12 55 1.9 19 56 5 50 57 0.04 0 58 2.4 24 59 0.4 4 60 0.2 2 61 0.02 0 62 1 10 63 2 20 64 1 10 65 0.18 2 66 0.2 2 67 0.5 5 68 0.4 4 69 0.01 0 70 3.9 39 71 3.4 34 72 99.99 999 73 0.58 6 74 1.1 11 75 1.4 14 76 2.2 22 77 0.04 0 78 2.2 22 79 1.2 12 80 0.4 4 81 0.09 1 82 1.3 13 83 0.8 8 84 1 10 85 0.24 2 86 1.2 12 87 1 10 88 1 10 89 0.29 3 90 0.4 4 91 6.7 67 92 1.4 14 93 0.02 0 94 0.2 2 95 0.3 3 96 0.2 2 101 0.11 1 102 1.9 19 103 1.9 19 104 1.1 11 105 0.34 3 106 1 10 107 0.4 4 108 0.2 2 109 0.04 0 114 0.2 2 115 4.2 42 116 1.3 13 117 0.02 0 118 0.4 4 119 0.3 3 121 1 10 122 0.02 0 123 0.1 1 126 1 10 127 1.2 12 128 0.22 2 129 2.7 27 130 1.4 14 131 1.2 12 132 0.02 0 139 1.4 14 140 0.2 2 141 0.9 9 142 0.04 0 143 1.1 11 144 0.4 4 145 1 10 146 0.06 1 150 0.9 9 151 1.4 14 152 2.9 29 153 0.14 1 154 0.4 4 155 0.2 2 159 0.1 1 160 0.02 0 163 1.1 11 164 1.4 14 165 10.4 104 166 0.26 3 167 3.7 37 168 1.4 14 169 0.4 4 175 0.04 0 176 1.8 18 177 1.1 11 178 7 70 179 0.69 7 180 7.2 72 181 1.6 16 182 0.4 4 187 0.11 1 188 0.4 4 189 1.4 14 190 1.2 12 191 0.24 2 192 1.6 16 193 2 20 194 1.4 14 195 0.18 2 196 0.4 4 200 0.2 2 201 1.1 11 202 0.14 1 203 1.3 13 204 1.5 15 205 1.6 16 206 0.12 1 207 1.9 19 208 1.3 13 209 0.2 2 215 0.09 1 216 0.9 9 217 0.4 4 218 0.8 8 219 0.08 1 220 0.8 8 221 1 10 222 1.1 11 223 0.27 3 224 1.4 14 231 0.6 6 232 0.3 3 233 0.02 0 234 0.1 1 235 0.4 4 236 0.4 4 248 0.01 0 249 0.3 3 250 0.4 4 251 0.2 2 252 0.01 0 263 0.3 3 264 0.2 2 265 1.8 18 266 0.09 1 267 0.2 2 294 1.7 17 295 0.8 8 296 0.02 0 309 0.2 2 310 0.1 1 //