MassBank Record: MSBNK-RIKEN_NPDepo-CB000273
ACCESSION: MSBNK-RIKEN_NPDepo-CB000273
RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Microbe, Glycosides, Aminoglycosides
CH$NAME: Dihydrostreptomycin
CH$COMPOUND_CLASS: Carbohydrates
CH$FORMULA: C21H41N7O12
CH$EXACT_MASS: 583.6006
CH$SMILES: CNC1C(O)[C@@H](O)C(CO)O[C@H]1OC1[C@H](OC2C(O)[C@@H](O)C(NC(=N)N)C(O)[C@@H]2NC(=N)N)O[C@@H](C)C1(O)CO
CH$IUPAC: InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6?,7?,8-,9?,10-,11?,12-,13?,14?,15?,16?,17-,18-,21?/m0/s1
CH$LINK: CAS
128-46-1
CH$LINK: CHEMSPIDER
23089228
CH$LINK: INCHIKEY
ASXBYYWOLISCLQ-PMUJNECLSA-N
CH$LINK: PUBCHEM
CID:6427042
AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-01ox-0690100000-99629b01d6350bf4d4cf
PK$NUM_PEAK: 399
PK$PEAK: m/z int. rel.int.
100.1000 13810.0771 26
100.4000 52885.6641 103
100.5000 44888.0703 88
100.6000 115677.9688 228
100.7000 138376.5625 273
100.8000 172551.8125 341
100.9000 213621.3906 422
101.0000 185704.1875 367
101.1000 242111.2969 479
101.2000 155283.8906 307
101.3000 114383.9375 225
101.4000 84366.6406 166
101.5000 27874.7422 54
101.6000 18371.0059 35
101.8000 21319.7051 41
101.9000 21956.1172 42
102.0000 25795.7793 50
102.5000 12006.9180 22
109.0000 12134.1992 23
109.6000 16101.1533 30
109.7000 17777.0313 34
109.8000 20683.2910 40
109.9000 17586.0996 33
110.0000 17013.3379 32
110.1000 28023.2168 54
110.2000 26241.2695 51
110.3000 12070.5625 22
110.4000 17777.0313 34
110.5000 29741.5215 58
110.6000 13194.8838 25
110.7000 22571.3086 43
110.8000 23907.7793 46
110.9000 23759.2734 46
111.0000 23207.7266 45
111.1000 18752.8574 36
111.2000 25010.8730 48
111.4000 21871.2598 42
111.5000 18774.0664 36
111.7000 11412.9385 21
111.9000 11179.5898 21
112.0000 11158.3760 21
112.3000 14488.9170 27
112.9000 12091.7734 22
113.1000 16525.4180 31
113.8000 17161.8418 33
118.4000 23165.2891 44
118.5000 50912.7383 100
118.6000 32711.4434 63
126.7000 15846.5869 30
127.8000 11922.0635 22
128.2000 11688.7178 22
128.5000 26432.1914 51
128.6000 30271.8594 59
128.7000 23398.6484 45
128.8000 48621.6680 95
128.9000 42406.0742 83
129.0000 19304.4160 37
129.1000 38990.6602 76
129.2000 33029.6367 64
129.3000 51846.1289 101
129.4000 36784.4453 71
129.5000 11709.9277 22
129.7000 13767.6445 26
130.2000 11731.1445 22
130.3000 22931.9414 44
131.5000 19113.4902 36
131.6000 27450.4473 53
131.7000 38820.9609 76
131.8000 31417.3984 61
131.9000 38163.3398 74
132.0000 25710.9238 50
132.1000 21001.5020 40
132.2000 34514.5859 67
132.3000 28532.3379 55
132.4000 23674.4180 45
134.8000 12049.3643 22
134.9000 27408.0273 53
135.0000 22274.3457 43
135.3000 14191.9404 27
139.9000 12622.1133 24
140.6000 17437.6074 33
140.7000 12579.6855 23
146.7000 22274.3164 43
146.9000 30293.0723 59
147.0000 11858.4199 22
147.1000 17373.9648 33
147.2000 14998.0391 28
147.3000 14467.7002 27
147.4000 17607.3164 33
148.5000 13131.2617 25
148.6000 39966.5078 78
148.7000 43254.6602 84
148.8000 21595.5332 41
148.9000 47667.0664 93
149.0000 15549.6631 29
149.1000 41472.6875 81
149.2000 61137.7227 120
149.3000 28808.1465 56
149.4000 31947.7676 62
150.2000 22253.1094 43
150.3000 17246.6875 33
150.4000 17098.1914 32
151.2000 11285.6504 21
157.9000 15019.2705 28
158.1000 14340.4229 27
158.2000 20704.5098 40
158.3000 20449.9434 39
166.8000 16101.1563 30
166.9000 15676.8770 30
173.1000 14679.8340 28
175.4000 19368.0488 37
175.5000 203947.8906 403
175.6000 211521.1875 418
175.7000 209336.2031 414
175.8000 228386.0313 452
175.9000 210863.5781 417
176.0000 215615.4063 426
176.1000 194995.7656 385
176.2000 198538.4375 392
176.3000 195441.2500 386
176.4000 165296.6719 327
176.5000 58295.0938 114
176.6000 38481.5391 75
176.7000 26920.1094 52
176.8000 19665.0449 38
177.0000 11094.7363 21
177.3000 15273.8174 29
177.4000 17034.5469 32
186.2000 15613.2383 29
186.3000 12643.3281 24
186.4000 13003.9590 24
190.2000 17055.7637 32
194.7000 38502.7500 75
194.8000 144677.0313 286
194.9000 244953.8594 485
195.0000 301615.5000 597
195.1000 311310.1250 616
195.2000 358022.5625 709
195.3000 403907.6563 800
195.4000 428918.5938 850
195.5000 352188.8125 697
195.6000 333117.7500 660
195.7000 291051.0938 576
195.8000 231377.1875 458
195.9000 98134.2969 193
196.0000 86318.2891 170
196.1000 52524.9766 103
196.2000 46288.1563 90
196.3000 18116.4492 34
196.4000 23207.7227 45
196.5000 13046.3896 24
200.2000 16419.3574 31
203.4000 17861.8867 34
203.5000 32669.0059 63
203.6000 77387.3516 152
203.7000 29423.3203 57
203.8000 32159.8809 62
203.9000 29550.5996 57
204.0000 29062.6816 56
204.1000 33347.8398 65
204.2000 21425.7754 41
204.3000 19580.1895 37
204.4000 30844.6289 60
204.5000 22571.3145 43
204.6000 20831.7930 40
204.7000 23716.8496 46
204.8000 26962.5332 52
204.9000 20874.2227 40
205.0000 16079.9404 30
205.1000 21256.0684 41
205.2000 23165.2930 44
205.3000 20980.2871 40
205.4000 20174.1738 39
205.5000 13682.8008 26
206.4000 13343.3750 25
206.5000 14743.4824 28
206.6000 18858.9316 36
206.7000 20131.7422 38
206.9000 37420.8672 73
207.0000 27768.6465 54
207.1000 18264.9414 35
207.2000 35681.3516 69
207.3000 32202.3125 62
207.4000 21086.3594 40
208.5000 26856.4609 52
208.6000 37314.7930 73
208.7000 40496.8398 79
208.8000 40390.7773 79
208.9000 20916.6523 40
209.0000 26623.1152 51
209.1000 32944.7891 64
209.2000 25159.3770 48
209.3000 36487.4531 71
209.4000 37442.0664 73
209.5000 53437.1602 105
209.6000 18158.8770 35
216.8000 13619.1650 26
217.0000 11137.1689 21
217.1000 25138.1660 48
220.4000 31099.2031 60
220.5000 87251.7422 172
220.6000 107977.4375 213
220.7000 109101.7500 215
220.8000 155496.0156 307
220.9000 167015.0156 330
221.0000 171427.4531 339
221.1000 165911.8438 328
221.2000 190965.1719 377
221.3000 211733.3281 419
221.4000 111541.3281 220
221.5000 71129.3281 140
221.6000 27132.2461 52
221.7000 38842.1836 76
221.8000 39733.1602 77
221.9000 26135.2148 50
222.0000 46076.0313 90
222.1000 63725.7773 125
222.2000 38184.5664 74
222.3000 26559.4941 51
222.4000 41748.4375 81
222.5000 31205.2617 60
222.6000 44357.7148 87
222.7000 39902.8516 78
222.8000 26877.6836 52
222.9000 13852.5107 26
223.0000 15358.6768 29
223.1000 24459.3262 47
223.2000 32159.8809 62
223.3000 35087.3594 68
223.4000 19177.1387 37
223.6000 11158.3711 21
223.8000 12452.4033 23
224.4000 19686.2598 38
224.5000 18880.1523 36
224.6000 30590.0820 59
224.7000 19686.2480 38
224.8000 34111.5391 66
224.9000 16249.6494 31
225.0000 31056.7637 60
225.1000 31693.1836 61
225.2000 34132.7461 66
225.3000 12325.1309 23
225.4000 20598.4473 39
225.7000 13067.6016 24
225.8000 14955.6133 28
226.9000 17352.7539 33
238.4000 12600.8994 24
238.6000 52015.8359 102
238.7000 36190.4688 70
238.9000 19728.7109 38
240.4000 12494.8320 23
240.5000 12813.0391 24
245.4000 23865.3438 46
245.5000 60267.9375 118
245.6000 75329.6328 148
245.7000 68180.6250 134
245.8000 69368.6094 136
245.9000 86997.1328 171
246.0000 84981.8438 167
246.1000 78596.5313 154
246.2000 70429.2813 138
246.3000 70938.4063 139
246.4000 50891.5156 99
246.5000 16737.5625 32
246.6000 13088.8184 24
246.8000 15040.4717 28
262.4000 65741.0703 129
262.5000 228089.0781 451
262.6000 384306.2188 761
262.7000 329850.8750 653
262.8000 349134.0313 691
262.9000 375417.7500 744
263.0000 347267.2500 688
263.1000 495423.3125 982
263.2000 412117.3750 816
263.3000 300766.9688 595
263.4000 315319.5313 624
263.5000 220727.9063 437
263.6000 55749.4414 109
263.7000 38608.8203 75
263.8000 32626.5723 63
263.9000 22634.9531 43
264.0000 38736.1055 75
264.1000 29402.1055 57
264.2000 37696.6367 73
264.3000 47518.5508 93
264.4000 46648.7969 91
264.5000 15889.0176 30
281.3000 11285.6572 21
291.9000 35320.7070 69
292.0000 154838.3438 306
292.1000 221555.2500 438
292.2000 295675.6563 585
292.3000 320962.3438 635
292.4000 367632.3438 728
292.5000 386236.7188 765
292.6000 401934.8125 796
292.7000 503569.4063 998
292.8000 503908.7813 999
292.9000 450026.0938 892
293.0000 249726.9531 494
293.1000 186531.5156 369
293.2000 140455.5156 277
293.3000 123442.1563 243
293.4000 116441.6719 230
293.5000 59589.1172 117
293.6000 31311.3320 61
293.7000 25880.6406 50
293.8000 27301.9570 53
293.9000 18201.3027 35
294.0000 14552.5566 27
294.6000 18561.9355 35
294.7000 24480.5430 47
294.8000 21553.0625 41
294.9000 13046.3809 24
295.1000 15740.5264 30
295.3000 14955.6201 28
295.9000 11794.7852 22
296.0000 17373.9668 33
299.4000 13300.9521 25
299.7000 20407.5215 39
299.9000 14297.9922 27
310.3000 11094.7334 21
310.4000 12855.4697 24
310.5000 41748.4375 81
310.6000 54306.9297 106
310.7000 70726.2969 139
310.8000 97540.3281 192
310.9000 51040.0313 100
311.0000 96543.2891 190
311.1000 45545.6875 89
311.2000 60564.9414 119
311.3000 54009.9297 106
311.4000 43424.3125 85
311.5000 15613.2402 29
311.6000 19389.2695 37
312.1000 20449.9512 39
312.2000 43594.0234 85
312.3000 28277.7773 55
312.4000 12091.7734 22
312.6000 11137.1582 21
312.9000 13979.7979 26
313.1000 16143.5801 31
313.4000 13152.4570 25
313.8000 12303.9092 23
355.1000 11158.3730 21
355.2000 11688.7178 22
367.1000 12091.7754 22
368.8000 13470.6621 25
370.6000 15337.4609 29
373.1000 15104.1094 28
408.4000 22337.9629 43
408.5000 99279.8359 196
408.6000 153077.6094 302
408.7000 169157.5469 334
408.8000 193001.6719 382
408.9000 208848.2656 413
409.0000 215848.7656 427
409.1000 186955.7969 370
409.2000 195080.6250 386
409.3000 196120.0938 388
409.4000 156365.7344 309
409.5000 66462.3203 130
409.6000 41557.5195 81
409.7000 51146.0898 100
409.8000 46076.0273 90
409.9000 44145.5820 86
410.0000 50891.5273 99
410.1000 41154.4609 80
410.2000 39181.5898 76
410.3000 35957.1094 70
410.4000 24947.2402 48
410.5000 19346.8379 37
410.6000 11964.4922 22
410.7000 12600.9023 24
583.4000 11943.2793 22
583.5000 43106.1172 84
583.6000 78151.0469 154
583.7000 125881.7266 248
583.8000 134473.2500 265
583.9000 137188.5781 271
584.0000 137591.6563 272
584.1000 131376.0781 259
584.2000 128469.7891 253
584.3000 118987.3047 235
584.4000 88757.8594 175
584.5000 33347.8398 65
584.6000 26092.7793 50
584.7000 32181.0859 62
584.8000 48282.2461 94
584.9000 31693.1777 61
585.0000 35044.9297 68
585.1000 29868.8027 58
585.2000 52949.2422 104
585.3000 38948.2383 76
585.4000 34005.4648 66
585.6000 11285.6563 21
619.8000 16101.1543 30
620.0000 12325.1250 23
//
