ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008163
RECORD_TITLE: MENAQUINONE-6; 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$NAME: MENAQUINONE-6
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄₁H₅₆O₂
CH$EXACT_MASS: 580.42803
CH$SMILES: C(CCC(C)=CCc(c2=O)c(c(=O)c(c21)cccc1)C)=C(C)CCC=C(CCC=C(CCC=C(C)CCC=C(C)C)C)C
CH$IUPAC: InChI=1S/C41H56O2/c1-30(2)16-11-17-31(3)18-12-19-32(4)20-13-21-33(5)22-14-23-34(6)24-15-25-35(7)28-29-37-36(8)40(42)38-26-9-10-27-39(38)41(37)43/h9-10,16,18,20,22,24,26-28H,11-15,17,19,21,23,25,29H2,1-8H3/b31-18+,32-20+,33-22+,34-24+,35-28+
CH$LINK: INCHIKEY PFRQBZFETXBLTP-RCIYGOBDSA-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$SPLASH: splash10-003r-7891050000-fb45abd0445fd13b3287
PK$NUM_PEAK: 166
PK$PEAK: m/z int. rel.int.
  39 1.09 11
  40 0.95 10
  41 13.97 140
  43 3.69 37
  53 3.99 40
  55 6.24 62
  67 9.21 92
  68 14.38 144
  69 90.68 907
  70 4.22 42
  77 3.46 35
  79 5.75 58
  80 2.61 26
  81 44.38 444
  82 3.32 33
  83 1.23 12
  91 3.9 39
  92 1.65 17
  93 15.17 152
  94 3.4 34
  95 15.31 153
  104 1.03 10
  105 5.93 59
  106 1.06 11
  107 12.19 122
  108 2.82 28
  109 11.22 112
  115 1.6 16
  119 4.66 47
  120 1.99 20
  121 16.3 163
  122 6.68 67
  123 9.09 91
  128 1.46 15
  129 1.07 11
  133 6.96 70
  134 4.48 45
  135 22.27 223
  136 9.79 98
  137 11.64 116
  138 1.16 12
  141 1.35 14
  145 1.93 19
  147 8.41 84
  148 3.54 35
  149 7.22 72
  150 1.56 16
  152 1.23 12
  153 1.31 13
  157 1.88 19
  159 3.67 37
  160 1.13 11
  161 8.1 81
  162 1.91 19
  163 3.07 31
  165 1.76 18
  171 1.91 19
  173 2.78 28
  174 1.91 19
  175 5.01 50
  176 1.6 16
  177 2.95 30
  178 2.35 24
  179 1.57 16
  181 3.96 40
  182 1.35 14
  185 1.28 13
  186 12.01 120
  187 29.46 295
  188 5.62 56
  189 11.13 111
  190 3.57 36
  191 3.87 39
  192 1.23 12
  193 2.02 20
  194 1.04 10
  195 3.88 39
  196 3.61 36
  197 8.85 89
  198 5.45 55
  199 3.78 38
  200 1.68 17
  201 4.92 49
  202 2.18 22
  203 7.03 70
  204 10.01 100
  205 2.77 28
  209 3.04 30
  210 2.98 30
  211 4.08 41
  212 1.5 15
  213 2.48 25
  215 2.52 25
  217 1.48 15
  221 3.5 35
  222 1.91 19
  223 3.78 38
  224 15.41 154
  225 86.2 862
  226 18.66 187
  227 19.3 193
  228 3.48 35
  229 1.52 15
  237 1.57 16
  238 3.93 39
  239 23.45 235
  240 16.96 170
  241 4.22 42
  242 2.74 27
  243 1.71 17
  251 2.8 28
  252 4.48 45
  253 3.74 37
  254 1.91 19
  255 1.32 13
  257 3.63 36
  258 1.2 12
  259 1.52 15
  264 1.04 10
  265 8.25 83
  266 3.06 31
  267 2.43 24
  271 2.7 27
  272 3.16 32
  273 1.38 14
  279 1.21 12
  289 1.14 11
  291 2.1 21
  292 1.47 15
  293 2.71 27
  294 2 20
  295 1.01 10
  307 10.99 110
  308 10.29 103
  309 2.52 25
  310 2.22 22
  320 1.7 17
  322 1.5 15
  325 1.27 13
  333 1.56 16
  340 2.39 24
  362 1.76 18
  375 4.95 50
  376 4.92 49
  377 1.36 14
  378 1.79 18
  388 1.66 17
  390 1.07 11
  393 2.42 24
  394 1.59 16
  430 2.34 23
  443 5.14 51
  444 3.66 37
  445 1.06 11
  446 0.99 10
  456 1.02 10
  498 1.81 18
  511 4.31 43
  512 2.03 20
  565 2.82 28
  566 1.28 13
  578 1.58 16
  580 99.99 999
  581 44.97 450
  582 12.8 128
  583 2.7 27
//