MassBank Record: WA002286



 Erythromycin; LC-ESI-Q; MS; POS; 15 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002286
RECORD_TITLE: Erythromycin; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Erythromycin CH$COMPOUND_CLASS: N/A CH$FORMULA: C37H67NO13 CH$EXACT_MASS: 733.46124 CH$SMILES: CC(C1)OC(OC(C2C)C(C)(O)CC(C(=O)C(C(C(C(CC)OC(=O)C(C2OC(C3)OC(C)C(O)C3(C)OC)C)(C)O)O)C)C)C(O)C(N(C)C)1 CH$IUPAC: InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 CH$LINK: CAS 114-07-8
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.500 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 15 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-001r-0000000900-6d928b85bb50cb8d8c39 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 558 12 12 576 35 35 577 16 16 717 24 24 734 999 999 735 427 427 736 102 102 737 24 24 748 8 8 756 8 8 757 8 8 //