ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008162
RECORD_TITLE: MENAQUINONE-9; 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$NAME: MENAQUINONE-9
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅₆H₈₀O₂
CH$EXACT_MASS: 784.61583
CH$SMILES: CC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc(c1C)c(=O)c(c2)c(ccc2)c(=O)1)C)CCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C56H80O2/c1-42(2)22-14-23-43(3)24-15-25-44(4)26-16-27-45(5)28-17-29-46(6)30-18-31-47(7)32-19-33-48(8)34-20-35-49(9)36-21-37-50(10)40-41-52-51(11)55(57)53-38-12-13-39-54(53)56(52)58/h12-13,22,24,26,28,30,32,34,36,38-40H,14-21,23,25,27,29,31,33,35,37,41H2,1-11H3/b43-24+,44-26+,45-28+,46-30+,47-32+,48-34+,49-36+,50-40+
CH$LINK: INCHIKEY WCRXHNIUHQUASO-UVZVDVBNSA-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$SPLASH: splash10-017i-9750000100-4b7aa019ba23f6cdfc8b
PK$NUM_PEAK: 149
PK$PEAK: m/z int. rel.int.
  39 4.27 43
  41 15.88 159
  42 1.58 16
  43 6.94 69
  53 5.59 56
  55 12.7 127
  57 2.85 29
  65 1.32 13
  67 12.1 121
  68 19.41 194
  69 99.99 999
  70 6 60
  71 1.03 10
  76 1.06 11
  77 3.69 37
  79 8.14 81
  80 3.23 32
  81 63.3 633
  82 5.5 55
  83 4.1 41
  91 5.45 55
  92 2.12 21
  93 22.26 223
  94 5.41 54
  95 23.59 236
  96 2.34 23
  97 2.17 22
  104 1.17 12
  105 8.39 84
  106 1.99 20
  107 17.61 176
  108 4.54 45
  109 15.97 160
  110 1.42 14
  111 2.14 21
  115 1.93 19
  119 7.42 74
  120 2.34 23
  121 19.81 198
  122 5.76 58
  123 12.34 123
  124 1.45 15
  128 1.3 13
  129 1.3 13
  131 1.6 16
  133 7.77 78
  134 4.45 45
  135 26.48 265
  136 7.56 76
  137 13.41 134
  138 1.56 16
  141 1.34 13
  145 2.86 29
  146 1.22 12
  147 9.33 93
  148 4.04 40
  149 8.8 88
  150 1.54 15
  152 1.01 10
  157 1.85 19
  159 3.68 37
  160 1.23 12
  161 8.54 85
  162 2.21 22
  163 4.67 47
  165 2.36 24
  166 0.95 10
  171 1.51 15
  173 3.1 31
  174 1.18 12
  175 4.2 42
  176 1.25 13
  177 2.83 28
  178 1.68 17
  181 2.28 23
  185 1.04 10
  186 6.18 62
  187 17.87 179
  188 3.22 32
  189 7.59 76
  190 2.31 23
  191 2.83 28
  193 1.52 15
  194 1.02 10
  195 2.45 25
  196 2.46 25
  197 5.69 57
  198 2.95 30
  199 2.51 25
  200 1.11 11
  201 3.5 35
  202 1.56 16
  203 5.21 52
  204 4.02 40
  205 2.02 20
  209 2.14 21
  210 1.6 16
  211 2.6 26
  213 1.46 15
  215 1.82 18
  217 1.71 17
  221 2.2 22
  222 2.17 22
  223 2.5 25
  224 8.88 89
  225 85.27 853
  226 16.1 161
  227 9.1 91
  228 1.77 18
  229 1.37 14
  237 1.17 12
  238 1.94 19
  239 10.83 108
  240 8.46 85
  241 2.65 27
  242 1.47 15
  243 1.22 12
  251 1.96 20
  252 1.97 20
  253 2.17 22
  257 1.8 18
  259 1 10
  265 4.28 43
  266 1.61 16
  267 1.17 12
  271 2 20
  272 1.62 16
  291 1.22 12
  293 1.11 11
  305 1.09 11
  307 4.33 43
  308 4.67 47
  309 1.31 13
  310 1.24 12
  339 1 10
  340 1.27 13
  375 2.03 20
  376 1.95 20
  409 1.1 11
  443 1.59 16
  444 1.63 16
  511 1.38 14
  513 1.24 12
  769 1.08 11
  782 1.68 17
  784 33.8 338
  785 15.01 150
  786 5.79 58
  787 3.01 30
//