MassBank MassBank Search Contents Download

MassBank Record: WA002281

Erythromycin; LC-ESI-Q; MS; POS; 90 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA002281
RECORD_TITLE: Erythromycin; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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$LINK: CAS 114-07-8
CH$LINK: INCHIKEY ULGZDMOVFRHVEP-RWJQBGPGSA-N
CH$LINK: COMPTOX DTXSID4022991

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 13.500 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-066r-0900000000-2987192f6e5832eb5c63
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  101 8 8
  102 12 12
  109 16 16
  113 137 137
  114 67 67
  115 16 16
  116 999 999
  117 63 63
  123 27 27
  127 27 27
  128 8 8
  140 8 8
  158 576 576
  159 55 55
  576 8 8
  756 16 16
  772 8 8
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze