MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008163
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
//