MassBank Record: MSBNK-Keio_Univ-KO001764
ACCESSION: MSBNK-Keio_Univ-KO001764
RECORD_TITLE: Ribostamycin; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID R016
CH$NAME: Ribostamycin
CH$NAME: Vistamycin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H34N4O10
CH$EXACT_MASS: 454.22749
CH$SMILES: NC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@H]1O[C@H]([C@@H](N)2)[C@H](O[C@H](O3)[C@H](O)[C@H](O)[C@@H](CO)3)[C@@H](O)[C@H](N)C2
CH$IUPAC: InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17-/m1/s1
CH$LINK: CAS
25546-65-0
CH$LINK: CHEBI
10003
CH$LINK: KEGG
C01759
CH$LINK: NIKKAJI
J20.066B
CH$LINK: PUBCHEM
SID:4892
CH$LINK: INCHIKEY
NSKGQURZWSPSBC-DLBSIDPUSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 453
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9400000000-25d69edef5509834bccd
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
58.000 49505.0 104
59.300 217822.0 458
71.200 24752.5 52
75.200 19802.0 42
79.300 94059.5 198
88.700 49505.0 104
95.400 49505.0 104
97.100 475248.0 999
99.800 118812.0 250
117.800 99010.0 208
118.600 39604.0 83
127.000 44554.5 94
133.900 14851.5 31
137.200 24752.5 52
148.200 29703.0 62
161.300 212871.5 447
164.000 19802.0 42
181.200 49505.0 104
199.300 24752.5 52
//