ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY USSIQXCVUWKGNF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7023273

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
//