MassBank Record: MSBNK-Kyoto_Univ-CA000087
ACCESSION: MSBNK-Kyoto_Univ-CA000087
RECORD_TITLE: Myxol 2'-(2,4-di-O-methyl-fucoside); FAB-EBEB; MS2; m/z: 758.51; [M]+*
DATE: 2016.01.19 (Created 2010.04.01, modified 2011.05.10)
AUTHORS: Akimoto N, Graduate School of Pharmaceutical Sciences, Kyoto University and Maoka T, Research Institute for Production Development
LICENSE: CC BY-SA
PUBLICATION: Shinichi Takaichi, Takashi Maoka and Kazumori Masamtoto, Myxoxanthophyll in Synechocystis sp. PCC 6803 is Myxol 2'-Dimethyl-Fucoside, (3R,2'S)-Myxol 2'-(2,4-di-O-Methyl-?-L-Fucoside), not Rhamnoside, Plant Cell Physiol, 42, 756-762 (2001).
COMMENT: Profile spectrum of this record is given as a JPEG file.
COMMENT: [Profile] CA000087.jpg
CH$NAME: Myxol 2'-(2,4-di-O-methyl-fucoside)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C48H70O7
CH$EXACT_MASS: 758.51215
CH$SMILES: C(C=C(C)C=CC=C(C=CC(C(C)(C)O)OC(C(OC)2)OC(C)C(OC)C2O)C)=CC(=CC=CC=C(C=CC=C(C=CC(C1(C)C)=C(C)CC(O)C1)C)C)C
CH$IUPAC: InChI=1S/C48H70O7/c1-33(19-14-15-20-34(2)22-17-25-36(4)27-29-41-38(6)31-40(49)32-47(41,8)9)21-16-23-35(3)24-18-26-37(5)28-30-42(48(10,11)51)55-46-45(53-13)43(50)44(52-12)39(7)54-46/h14-30,39-40,42-46,49-51H,31-32H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,29-27+,30-28+,33-19+,34-20+,35-23+,36-25+,37-26+/t39?,40-,42+,43?,44?,45?,46?/m1/s1
CH$LINK: INCHIKEY
YNIWMLHSONPLJN-YDRVKNNDSA-N
AC$INSTRUMENT: JMS-HX/HX 110A, JEOL
AC$INSTRUMENT_TYPE: FAB-EBEB
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: ATOM_GUN_CURRENT 5 mA
AC$MASS_SPECTROMETRY: BOMBARDMENT 6 kV xenon
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 3 kV
AC$MASS_SPECTROMETRY: COLLISION_GAS Ar
AC$MASS_SPECTROMETRY: GAS_PRESSURE adjust to attenuate the intensity of the precursor ion by 30 %
AC$MASS_SPECTROMETRY: IONIZATION FAB
AC$MASS_SPECTROMETRY: MATRIX 1-2 uL m-NBA
AC$MASS_SPECTROMETRY: PROBE_TIP stainless-steel
MS$FOCUSED_ION: BASE_PEAK 99.0722
MS$FOCUSED_ION: PRECURSOR_M/Z 758.51
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+*
MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=99.0722). set 999 for peak(m/z=758.6766,rel=2957).
PK$SPLASH: splash10-0a4i-5910020300-308004c5fe236c226faf
PK$NUM_PEAK: 860
PK$PEAK: m/z int. rel.int.
0.0471 0.02 1
0.3949 0.02 1
5.3349 0.01 0
10.9129 0.01 0
11.6159 0.01 0
14.0253 0.02 1
15.0242 0.22 7
16.0346 0.01 0
18.5142 0.02 1
22.0431 0.01 0
22.9946 0.01 0
25.1787 0.01 0
25.6311 0.01 0
26.0191 0.05 1
27.0226 0.49 14
27.8129 0.02 1
28.0268 0.06 2
29.0273 0.95 28
30.0064 0.04 1
31.0151 0.34 10
32.0355 0.01 0
33.0330 1.00 30
35.5230 0.01 0
36.9842 0.02 1
38.0272 0.09 3
39.0270 1.05 31
40.0347 0.12 4
40.4533 0.01 0
41.0453 3.26 96
42.0298 0.23 7
43.0325 4.40 130
43.6735 0.01 0
44.0226 0.09 3
45.0389 4.79 142
46.0472 0.01 0
47.0338 0.04 1
48.5565 0.01 0
50.0123 0.19 6
51.0263 0.65 19
52.0388 0.19 6
53.0410 1.69 50
53.5738 0.02 1
54.0481 0.14 4
55.0570 5.03 149
56.0520 0.13 4
57.0556 4.03 119
58.0332 0.09 3
59.0621 19.85 587
60.0329 0.45 13
61.0507 0.52 15
62.0344 0.12 4
62.4739 0.01 0
63.0360 0.50 15
63.4218 0.01 0
64.0409 0.12 4
65.0538 1.26 37
66.0624 0.24 7
66.6451 0.01 0
67.0696 2.29 68
68.0603 0.15 4
69.0643 3.92 116
69.6108 0.02 1
70.0378 0.07 2
71.0592 8.85 262
72.0664 2.12 63
73.0762 32.84 971
74.0485 1.00 30
75.0583 15.62 462
76.0146 0.11 3
77.0519 4.02 119
78.0462 0.68 20
78.5011 0.03 1
79.0613 3.77 112
80.0814 0.50 15
81.0799 5.25 155
82.0611 0.52 15
83.0693 4.65 138
83.4937 0.03 1
84.0394 0.08 2
85.0554 9.45 280
86.0618 0.12 4
86.2743 0.06 2
87.0616 10.57 313
88.0596 0.36 11
89.0734 13.51 400
90.0594 0.22 7
91.0708 8.63 255
92.0785 0.70 21
93.0873 7.17 212
94.0907 0.44 13
95.1000 5.50 163
96.1070 0.18 5
97.0870 5.18 153
98.0858 0.19 6
99.0722 33.77 999
100.0902 0.13 4
101.0839 19.99 591
102.0915 1.77 52
103.0930 6.27 185
104.0952 0.60 18
105.1013 12.57 372
106.1046 0.97 29
106.5448 0.05 1
107.1201 5.77 171
108.1176 0.40 12
109.1205 3.97 117
110.1086 0.20 6
111.0833 6.12 181
112.1297 0.07 2
113.0897 1.75 52
113.5004 0.10 3
114.1050 0.37 11
115.1025 12.75 377
116.0950 1.95 58
117.0980 5.43 161
118.1096 0.99 29
119.1146 14.84 439
120.1109 1.19 35
121.1245 4.90 145
122.0933 0.23 7
123.1225 1.32 39
124.1014 0.08 2
125.0854 5.78 171
125.6762 0.05 1
126.0641 0.32 9
127.0913 2.15 64
128.0818 5.17 153
129.0948 9.70 287
130.0989 2.53 75
131.0958 17.11 506
132.1064 1.60 47
133.1134 7.83 232
134.1024 0.58 17
135.1175 3.06 91
136.0741 0.15 4
136.6164 0.03 1
137.1133 1.03 30
138.0654 0.10 3
139.0755 0.72 21
140.0853 0.21 6
141.0822 4.44 131
142.0875 4.53 134
143.0871 27.35 809
144.1022 3.25 96
145.1150 12.81 379
146.1276 0.87 26
147.1182 3.73 110
148.1190 0.37 11
149.1263 1.78 53
150.1188 0.19 6
151.0961 0.73 22
152.0854 1.84 54
153.0903 2.84 84
154.0945 1.29 38
155.1053 4.90 145
156.1064 3.61 107
157.1104 22.28 659
158.1209 1.85 55
159.1271 5.76 170
160.1471 0.66 20
161.1336 1.96 58
162.1247 0.19 6
163.1260 0.89 26
164.1247 0.20 6
165.1024 3.60 106
166.1158 1.40 41
167.1193 3.56 105
168.1311 1.63 48
169.1402 5.48 162
170.1577 2.17 64
171.1632 4.85 143
172.1936 0.83 25
173.1734 3.15 93
174.1504 0.47 14
175.1485 19.40 574
176.1328 0.43 13
177.1789 0.70 21
178.1409 2.10 62
179.1388 3.07 91
180.1469 1.74 51
181.1577 4.51 133
182.1694 1.77 52
183.1788 5.14 152
184.1797 1.17 35
185.1907 3.12 92
186.1654 0.51 15
187.1910 1.57 46
188.1617 0.25 7
189.1685 1.37 41
190.1425 0.40 12
191.1321 1.62 48
192.1505 1.29 38
193.1547 3.24 96
194.1392 1.82 54
195.1654 5.35 158
196.1607 1.45 43
197.1697 5.29 156
198.1870 0.72 21
199.1844 1.61 48
200.1880 0.31 9
201.1868 1.01 30
202.1449 0.84 25
203.1131 1.40 41
204.1251 0.51 15
205.1378 1.47 43
206.1738 1.37 41
207.1559 3.02 89
208.1687 1.64 49
209.1653 4.40 130
210.1624 0.83 25
211.1772 2.07 61
212.1605 0.30 9
213.1765 1.04 31
214.1667 0.34 10
215.1537 1.23 36
216.1299 0.54 16
217.1635 1.33 39
218.1485 0.49 14
219.1606 1.80 53
220.1505 0.75 22
221.1771 2.09 62
222.1795 0.73 22
223.1768 2.00 59
224.1728 0.27 8
225.1979 0.95 28
226.1969 0.27 8
227.1735 0.79 23
228.1736 0.39 12
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230.1638 0.52 15
231.2094 1.09 32
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235.2136 1.96 58
236.2025 0.40 12
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238.2183 0.19 6
239.2106 0.82 24
240.2206 0.36 11
241.2043 1.05 31
241.6329 0.06 2
242.2307 0.26 8
243.1845 0.73 22
244.2369 0.33 10
245.2090 1.02 30
246.1796 0.33 10
247.2276 1.30 38
248.1914 0.24 7
249.2211 0.92 27
250.2629 0.23 7
251.2450 0.61 18
252.2621 0.36 11
253.2488 0.70 21
254.2725 0.37 11
254.7913 0.34 10
255.2273 0.82 24
256.2461 0.18 5
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260.1693 0.24 7
261.2405 0.91 27
262.2928 0.31 9
263.2314 0.71 21
263.8373 0.06 2
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266.2314 0.30 9
267.2723 0.63 19
268.2477 0.15 4
268.7132 0.03 1
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270.2557 0.22 7
271.2341 0.52 15
271.7099 0.03 1
272.2828 0.36 11
272.6616 0.05 1
273.2755 0.46 14
274.2512 0.15 4
274.7430 0.17 5
275.2777 0.51 15
276.2112 0.19 6
276.6120 0.06 2
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278.2213 0.12 4
279.2727 0.30 9
280.1976 0.14 4
281.2805 0.31 9
282.2917 0.11 3
283.2720 0.55 16
283.8120 2.31 68
285.2962 0.95 28
286.2932 0.17 5
287.2866 0.54 16
287.7668 0.06 2
288.3428 0.13 4
289.2822 0.46 14
290.2629 0.09 3
291.2439 0.21 6
291.7209 0.06 2
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294.3102 0.25 7
295.3042 0.27 8
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302.7831 0.04 1
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305.8189 0.04 1
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314.3157 0.14 4
314.8461 0.03 1
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316.2824 0.09 3
317.3281 0.18 5
318.3541 0.13 4
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331.8753 0.05 1
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336.3150 0.10 3
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345.3981 0.17 5
345.7796 0.03 1
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372.4104 0.15 4
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374.3923 0.09 3
374.7713 0.05 1
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//
