21
MS 2 spectra of putatively new cyanidins
MS2 spectra of putatively new cyanidins
Ara4A #1390 RT: 31.61 AV: 1 NL: 8.34E3T: FTMS + c NSI d Full ms2 [email protected] [240.00-930.00]
250 300 350 400 450 500 550 600 650 700 750 800 850 900m/z
0
10
20
30
40
50
60
70
80
90
100
Re
lativ
e A
bu
nd
an
ce
757.20
287.06
460.58 641.86578.52
919
O+HO
O
OH
OH
O
O
HO
HO
OH
OH
O
OH
HO
O
O
O OH
OH
O
OH
OH
O
991
Ara4A #1574 RT: 35.82 AV: 1 NL: 3.90E4T:FTMS + c NSI d Full ms2 [email protected] [260.00-1005.00]
300 400 500 600 700 800 900m/z
0
10
20
30
40
50
60
70
80
90
100
Re
lativ
e A
bu
nd
an
ce
743.18
535.11
287.05
947.25491.12
859.18 973.21725.18335.80 792.68
O+HO
O
OH
OH
O
O
HO
HO
OH
O
O
OH
HO
O
OHO
OH
OH
OO
HO
HO
OH
O O
1081
Ara4C #1346 RT: 30.56 AV: 1 NL: 7.83E4T: FTMS + c NSI d Full ms2 [email protected] [285.00-1095.00]
300 400 500 600 700 800 900 1000m/z
0
10
20
30
40
50
60
70
80
90
100
Re
lativ
e A
bu
nd
an
ce
919.23
449.11
1051.69819.96397.22 746.71324.90 907.77458.64
O+HO
O
OH
OH
O
O
HO
HO
OH
OH
O
OH
HO
O
O
O OH
OH
O
OH
O
OH
O
O
HO
1167
Ara3A #1462 RT: 33.21 AV: 1 NL: 2.77E5T: FTMS + c NSI d Full ms2 [email protected] [310.00-1180.00]
400 500 600 700 800 900 1000 1100m/z
0
10
20
30
40
50
60
70
80
90
100
Re
lativ
e A
bu
nd
an
ce
919.23
535.11
1123.29491.12
449.10 1081.30843.20809.89 999.70604.48381.32
O+HO
O
OH
OH
O
O
HO
HO
OH
O
O
OH
HO
O
O
O OH
OH
O
OH
OO
O
OH
HO
O
O
HO
1329
Ara3A #1044 RT: 23.75 AV: 1 NL: 1.08E5T: FTMS + c NSI d Full ms2 [email protected] [355.00-1340.00]
400 500 600 700 800 900 1000 1100 1200 1300m/z
0
10
20
30
40
50
60
70
80
90
100
Re
lativ
e A
bu
nd
an
ce
1081.28
535.11
1285.35919.23
1167.28491.121243.32449.10 734.29 773.97 967.33542.19
O+HO
O
OH
OH
O
O
HO
HO
OH
O
O
OH
HO
O
O
O OH
OH
O
O
O
OH
O
OH
O
OH
OH
HO
OH
HO
OO
O
1359
Ara10C #1094 RT: 25.80 AV: 1 NL: 5.24E4T: FTMS + c NSI d Full ms2 [email protected] [360.00-1370.00]
400 500 600 700 800 900 1000 1100 1200 1300m/z
0
10
20
30
40
50
60
70
80
90
100
Re
lativ
e A
bu
nd
an
ce
1111.29
535.11
1315.36
1273.341197.28949.24491.12449.08 747.02656.49
O+HO
O
OH
OH
O
O
HO
HO
OH
O
O
OH
HO
O
O
O OH
OH
O
O
O
OH
O
O O
O
OH
OH
HO
OH
HO
OO
HO
1373
Ara10C #1146 RT: 26.97 AV: 1 NL: 1.07E5T: FTMS + c NSI d Full ms2 [email protected] [365.00-1385.00]
400 500 600 700 800 900 1000 1100 1200 1300m/z
0
10
20
30
40
50
60
70
80
90
100
Re
lativ
e A
bu
nd
an
ce
1125.31
535.11
1211.31
1329.37963.25
491.121355.351167.33712.58588.11 654.58 1002.67
O+HO
O
OH
OH
O
O
HO
HO
OH
O
O
OH
HO
O
O
O OH
OH
O
O
O
OH
O
O O
O
OH
OH
HO
OH
HO
OO
O
1005
Ara3A #1364 RT: 30.97 AV: 1 NL: 1.28E5T: FTMS + c NSI d Full ms2 [email protected] [265.00-1020.00]
300 400 500 600 700 800 900 1000m/z
0
10
20
30
40
50
60
70
80
90
100
Re
lativ
e A
bu
nd
an
ce
535.11
757.20
287.05
961.26491.12
449.10 919.24 987.24626.61553.30355.99 402.21
O+HO
O
OH
OH
O
O
HO
HO
OH
O
O
OH
HO
O
O OH
OH
OH
OO
OH
HO
O O
O
1035
Ara3A #994 RT: 22.59 AV: 1 NL: 1.31E5T: FTMS + c NSI d Full ms2 [email protected] [275.00-1050.00]
300 400 500 600 700 800 900 1000m/z
0
10
20
30
40
50
60
70
80
90
100
Re
lativ
e A
bu
nd
an
ce
535.11
787.21
491.12991.27287.05
449.11 826.99 964.95381.37
O+HO
O
OH
OH
O
O
HO
HO
OH
O
O
OH
HO
HO
O
O OH
OH
OO
HO
O
OH
O
O O
1065
Ara3A #1416 RT: 32.15 AV: 1 NL: 2.40E5T: FTMS + c NSI d Full ms2 [email protected] [280.00-1080.00]
300 400 500 600 700 800 900 1000m/z
0
10
20
30
40
50
60
70
80
90
100
Re
lativ
e A
bu
nd
an
ce
903.23
449.11
353.30 438.66 760.80
O+HO
O
OH
OH
O
O
HO
HO
OH
OH
O
OH
HO
O
O
O OH
OH
O
OH
O
OH
O
O
1081
Ara3A #1342 RT: 30.48 AV: 1 NL: 4.64E5T: FTMS + c NSI d Full ms2 [email protected] [285.00-1095.00]
300 400 500 600 700 800 900 1000m/z
0
10
20
30
40
50
60
70
80
90
100
Re
lativ
e A
bu
nd
an
ce
919.23
449.11
702.57 774.92351.89 1085.76520.87 1048.76652.63
O+HO
O
OH
OH
O
O
HO
HO
OH
OH
O
OH
HO
O
O
O OH
OH
O
OH
O
OH
O
O
HO
1111
Ara4A #1512 RT: 34.41 AV: 1 NL: 4.76E4T: FTMS + c NSI d Full ms2 [email protected] [295.00-1125.00]
300 400 500 600 700 800 900 1000 1100m/z
0
10
20
30
40
50
60
70
80
90
100
Re
lativ
e A
bu
nd
an
ce
949.24
917.21449.10 1079.26642.93 816.72413.62 562.86
O+HO
O
OH
OH
O
O
HO
HO
OH
OH
O
OH
HO
O
O
O OH
OH
O
OH
O
OH
O
O O
HO
1121
Ara4A #1740 RT: 39.61 AV: 1 NL: 8.95E4T: FTMS + c NSI d Full ms2 [email protected] [295.00-1135.00]
300 400 500 600 700 800 900 1000 1100m/z
0
10
20
30
40
50
60
70
80
90
100
Re
lativ
e A
bu
nd
an
ce
873.22
535.11
1077.28491.12
649.12
523.26
358.10 895.26608.44 1000.26478.74
O+HO
O
OH
OH
O
O
HO
HO
OH
O
O
OH
HO
O
O
O OH
OH
O
OH
OO
O
OH
HO
O
1125
Ara4A #1532 RT: 34.85 AV: 1 NL: 3.96E5T: FTMS + c NSI d Full ms2 [email protected] [295.00-1140.00]
300 400 500 600 700 800 900 1000 1100m/z
0
10
20
30
40
50
60
70
80
90
100
Re
lativ
e A
bu
nd
an
ce
963.25
449.11
1107.30563.79439.82 769.33315.81 463.02 866.58616.35
O+HO
O
OH
OH
O
O
HO
HO
OH
OH
O
OH
HO
O
O OH
OH
O
OH
O O
O
OO
OH
O
1151
Ara4A #1496 RT: 34.03 AV: 1 NL: 1.51E5T: FTMS + c NSI d Full ms2 [email protected] [305.00-1165.00]
400 500 600 700 800 900 1000 1100m/z
0
10
20
30
40
50
60
70
80
90
100
Re
lativ
e A
bu
nd
an
ce
903.23
535.11
1107.29491.12
1065.30449.11 1137.50976.97335.84
O+HO
O
OH
OH
O
O
HO
HO
OH
O
O
OH
HO
O
O
O OH
OH
O
OH
OO
O
OH
HO
O
O
1195position of methyl group on cyanidin core unclear
Ara3A #1620 RT: 36.82 AV: 1 NL: 2.58E5T: FTMS + c NSI d Full ms2 [email protected] [315.00-1210.00]
400 500 600 700 800 900 1000 1100 1200m/z
0
10
20
30
40
50
60
70
80
90
100
Re
lativ
e A
bu
nd
an
ce
947.26
549.12
1151.32505.13
933.26463.12 1109.29351.75 424.99
O+HO
O
OH
O
O
O
HO
HO
OH
O
O
OH
HO
O
O
O OH
OH
O
OH
OO
O
OH
HO
O
O O
1197
Ara3A #1474 RT: 33.48 AV: 1 NL: 2.01E5T: FTMS + c NSI d Full ms2 [email protected] [315.00-1210.00]
400 500 600 700 800 900 1000 1100 1200m/z
0
10
20
30
40
50
60
70
80
90
100
Re
lativ
e A
bu
nd
an
ce
949.24
535.11
1153.30
491.12
1111.29449.11 692.67568.30391.20
O+HO
O
OH
OH
O
O
HO
HO
OH
O
O
OH
HO
O
O
O OH
OH
O
OH
OO
O
OH
HO
O
O O
HO
1211
Ara3A #1284 RT: 29.16 AV: 1 NL: 2.07E5T: FTMS + c NSI d Full ms2 [email protected] [320.00-1225.00]
400 500 600 700 800 900 1000 1100 1200m/z
0
10
20
30
40
50
60
70
80
90
100
Re
lativ
e A
bu
nd
an
ce
963.25
535.11
1167.32
491.12
1125.30606.31365.08 1000.15
O+HO
O
OH
OH
O
O
HO
HO
OH
O
O
OH
HO
O
O OH
OH
O
OH
O O
O
OO
OH
HO
O O
O
1313
Ara3B #1413 RT: 32.26 AV: 1 NL: 2.89E5T: FTMS + c NSI d Full ms2 [email protected] [350.00-1325.00]
400 500 600 700 800 900 1000 1100 1200 1300m/z
0
10
20
30
40
50
60
70
80
90
100
Re
lativ
e A
bu
nd
an
ce
1065.28
535.11
1269.351227.341151.28
491.12903.23 1295.33449.11 1107.31864.61 1005.26542.87392.71
O+HO
O
OH
OH
O
O
HO
HO
OH
O
O
OH
HO
O
O
O OH
OH
O
O
O
OH
O
O
OH
OH
HO
OH
HO
OO
O
Ara10A #1768 RT: 40.41 AV: 1 NL: 3.91E4T: FTMS + c NSI d Full ms2 [email protected] [415.00-1560.00]
500 600 700 800 900 1000 1100 1200 1300 1400 1500m/z
0
10
20
30
40
50
60
70
80
90
100
Re
lativ
e A
bu
nd
an
ce
1301.35
535.11
1505.41
1463.421114.69837.47 1387.84790.12623.83
1549
O+HO
O
OH
OH
O
O
HO
HO
OH
O
O
OH
HO
O
O
O OH
OH
O
O
O
OH
O
O O
O
HO
OH
HO
HO
OO
O
OH
O
O O
![Glycopeptide MS/MS Spectra Supplemental Data 2. gi|310722811Vacuolar invertase 1 [Gossypium hirsutum] R.LFLFNNASGVNVK.A + Deamidated (NQ)1423.8701 01.](https://static.documents.pub/doc/80x56/56649efd5503460f94c11f02/glycopeptide-msms-spectra-supplemental-data-2-gi310722811vacuolar-invertase.jpg)
