MassBank Record: MSBNK-Waters-WA001549
ACCESSION: MSBNK-Waters-WA001549
RECORD_TITLE: Glafenine; 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$NAME: Glafenine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H17ClN2O4
CH$EXACT_MASS: 372.08768
CH$SMILES: OCC(O)COC(=O)c(c3)c(ccc3)Nc(c2)c(c1)c(nc2)cc(Cl)c1
CH$IUPAC: InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22)
CH$LINK: CAS
3820-67-5
CH$LINK: INCHIKEY
GWOFUCIGLDBNKM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1048546
AC$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$CHROMATOGRAPHY: RETENTION_TIME 12.130 min
AC$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: splash10-001i-0190000000-84cdaff56d3d5ed9639b
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
116 47 47
117 8 8
118 8 8
120 20 20
128 27 27
144 27 27
157 16 16
162 90 90
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165 43 43
185 16 16
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228 20 20
239 8 8
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246 251 251
247 43 43
252 63 63
253 78 78
254 31 31
255 27 27
263 16 16
280 27 27
281 999 999
282 176 176
283 341 341
284 55 55
285 8 8
//