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MassBank Record: WA002285

Erythromycin; LC-ESI-Q; MS; POS; 30 V

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

ACCESSION: WA002285
RECORD_TITLE: Erythromycin; LC-ESI-Q; MS; POS; 30 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 30 V

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

PK$SPLASH: splash10-0a7i-0800090700-b4d5fc753f58e590b6f1
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  115 24 24
  116 137 137
  127 55 55
  144 24 24
  158 999 999
  159 94 94
  316 74 74
  317 12 12
  365 8 8
  522 86 86
  523 24 24
  524 8 8
  540 55 55
  541 24 24
  558 161 161
  559 47 47
  560 12 12
  562 8 8
  576 674 674
  577 219 219
  578 43 43
  579 8 8
  698 27 27
  699 16 16
  716 59 59
  717 35 35
  718 8 8
  720 8 8
  734 642 642
  736 274 274
  737 78 78
  738 16 16
  748 8 8
  750 12 12
  756 20 20
  757 8 8
  772 8 8
//

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