ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008164
RECORD_TITLE: MENAQUINONE-7; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: MENAQUINONE-7
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄₆H₆₄O₂
CH$EXACT_MASS: 648.49063
CH$SMILES: C(C=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)C)C)CC(C)=CCc(c(=O)1)c(C)c(=O)c(c2)c1ccc2
CH$IUPAC: InChI=1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+
CH$LINK: INCHIKEY RAKQPZMEYJZGPI-LJWNYQGCSA-N

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-016r-8961000000-9f4b60b646775c88a22c
PK$NUM_PEAK: 177
PK$PEAK: m/z int. rel.int.
  39 2.62 26
  40 5.18 52
  41 14.8 148
  42 1.3 13
  43 9.14 91
  44 1.04 10
  53 5.4 54
  54 1.3 13
  55 10.37 104
  56 0.92 9
  57 2.86 29
  65 1.18 12
  67 11.62 116
  68 19.08 191
  69 99.99 999
  70 5.84 58
  71 1.22 12
  76 1.05 11
  77 4.07 41
  78 1.02 10
  79 6.32 63
  80 2.89 29
  81 57.75 578
  82 5.62 56
  83 4.85 49
  91 5.42 54
  92 2.44 24
  93 20.5 205
  94 4.92 49
  95 22.96 230
  96 2.97 30
  97 2.8 28
  104 1.26 13
  105 8.15 82
  106 1.76 18
  107 13.14 131
  108 3.7 37
  109 16.51 165
  110 1.67 17
  111 1.91 19
  115 1.88 19
  117 1.07 11
  119 7.09 71
  120 2.76 28
  121 20.73 207
  122 7.28 73
  123 11.84 118
  124 1.76 18
  127 1.01 10
  128 1.43 14
  129 1.35 14
  131 1.52 15
  132 0.99 10
  133 8.84 88
  134 5.09 51
  135 29.86 299
  136 9.67 97
  137 14.56 146
  138 1.63 16
  141 1.28 13
  143 0.89 9
  145 3.12 31
  146 1.39 14
  147 9.9 99
  148 4.24 42
  149 8.94 89
  150 1.71 17
  151 0.85 9
  152 1.25 13
  153 1.19 12
  157 2.12 21
  158 0.96 10
  159 4.55 46
  160 1.49 15
  161 8.41 84
  162 2.47 25
  163 3.79 38
  165 1.67 17
  171 1.72 17
  172 0.91 9
  173 3.35 34
  174 1.57 16
  175 5.74 57
  176 1.62 16
  177 3.31 33
  178 1.4 14
  179 1.48 15
  181 2.97 30
  185 1.26 13
  186 9.65 97
  187 27.94 279
  188 4.85 49
  189 10.28 103
  190 3.48 35
  191 3.69 37
  192 1.06 11
  193 1.68 17
  195 3.13 31
  196 2.75 28
  197 6.86 69
  198 4.59 46
  199 3.47 35
  200 1.23 12
  201 3.9 39
  202 1.86 19
  203 6.4 64
  204 8.25 83
  205 2.59 26
  209 2.4 24
  210 2.4 24
  211 3.31 33
  212 1.25 13
  213 2.2 22
  215 2.77 28
  217 1.77 18
  221 2.63 26
  222 1.65 17
  223 3.42 34
  224 11.35 114
  225 83.88 839
  226 19.42 194
  227 13.87 139
  228 2.75 28
  229 1.32 13
  237 1.14 11
  238 2.97 30
  239 17.96 180
  240 12.86 129
  241 3.3 33
  242 2.59 26
  243 1.69 17
  251 2.23 22
  252 3.37 34
  253 3.1 31
  254 1.38 14
  255 1.17 12
  257 2.7 27
  258 0.94 9
  259 1.46 15
  265 6.23 62
  266 2.67 27
  267 1.92 19
  269 1.14 11
  271 2.16 22
  272 2.94 29
  273 1.36 14
  279 1.14 11
  291 1.6 16
  292 1.05 11
  293 1.89 19
  294 1.77 18
  307 7.87 79
  308 8.16 82
  309 2.18 22
  310 1.73 17
  320 1.21 12
  322 1.14 11
  325 1.59 16
  333 1.09 11
  339 1.26 13
  340 2.31 23
  375 3.14 31
  376 5.04 50
  378 1.52 15
  388 1.1 11
  390 1.28 13
  409 2.51 25
  430 1.77 18
  443 2.79 28
  444 2.14 21
  461 1.03 10
  462 0.86 9
  498 1.27 13
  511 3.04 30
  512 1.54 15
  579 1.43 14
  580 0.92 9
//