MassBank Record: NGA02113



 Lincomycin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA02113
RECORD_TITLE: Lincomycin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Microbe, Glycosides, Pyrrolidines

CH$NAME: Lincomycin CH$COMPOUND_CLASS: Carbohydrates CH$FORMULA: C18H34N2O6S CH$EXACT_MASS: 406.54548000000005 CH$SMILES: CCC[C@@H]1C[C@@H](C(O)=NC(C(C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1 CH$IUPAC: InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1 CH$LINK: CAS 154-21-2 CH$LINK: PUBCHEM CID:2272112 CH$LINK: INCHIKEY OJMMVQQUTAEWLP-NOWPCOIGSA-N
AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-0000900000-5dc015025bfdf84504a5 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 406.4 1.1 1 406.5 3.45 3 406.6 7.62 7 406.7 14.49 14 406.8 25.95 25 406.9 43.48 43 407.0 65.33 65 407.1 85.9 85 407.2 98.81 98 407.3 100.0 99 407.4 88.09 88 407.5 64.74 64 407.6 36.29 36 407.7 12.35 12 407.8 0.35 0 //