MassBank Record: WA001819



 Chlortetracycline; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001819
RECORD_TITLE: Chlortetracycline; LC-ESI-Q; MS; POS; 45 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$NAME: Chlortetracycline CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H23ClN2O8 CH$EXACT_MASS: 478.11429 CH$SMILES: NC(=O)C(=C(O)4)C(=O)C(O)(C(O)=1)C([H])(C(N(C)C)4)CC([H])(C(C)(O)2)C(C(=O)c(c(O)3)c(c(Cl)cc3)2)1 CH$IUPAC: InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1 CH$LINK: CAS 57-62-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 12.480 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0gvp-0100910000-cc64416bca1c52a9c5f9 PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 126 16 16 135 12 12 154 298 298 155 12 12 171 8 8 172 8 8 213 20 20 303 8 8 371 20 20 373 16 16 399 8 8 400 8 8 416 8 8 426 16 16 428 8 8 444 999 999 445 106 106 446 415 415 447 71 71 448 8 8 461 47 47 462 548 548 463 98 98 464 204 204 465 43 43 470 12 12 472 8 8 479 161 161 480 43 43 481 82 82 482 31 31 483 12 12 500 215 215 501 31 31 502 106 106 503 20 20 510 12 12 511 8 8 517 102 102 518 16 16 519 55 55 //