MassBank Record: MSBNK-Waters-WA002140
ACCESSION: MSBNK-Waters-WA002140
RECORD_TITLE: 8-Hydroxyloxapine; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: 8-Hydroxyloxapine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H18ClN3O2
CH$EXACT_MASS: 343.10875
CH$SMILES: CN(C4)CCN(C4)C(=N1)c(c3)c(ccc(Cl)3)Oc(c2)c(cc(O)c2)1
CH$IUPAC: InChI=1S/C18H18ClN3O2/c1-21-6-8-22(9-7-21)18-14-10-12(19)2-4-16(14)24-17-5-3-13(23)11-15(17)20-18/h2-5,10-11,23H,6-9H2,1H3
CH$LINK: CAS
61443-77-4
CH$LINK: INCHIKEY
VNJRIWXLPIYFGI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80210387
AC$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$CHROMATOGRAPHY: RETENTION_TIME 12.800 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000i-0091000000-5655a11fd143bb6fcb91
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
120 12 12
124 12 12
135 74 74
205 12 12
209 192 192
210 24 24
216 16 16
217 12 12
218 20 20
219 12 12
223 16 16
224 12 12
231 27 27
242 16 16
243 12 12
244 90 90
245 20 20
246 59 59
251 20 20
252 12 12
257 16 16
258 12 12
259 94 94
260 27 27
261 35 35
269 12 12
270 12 12
285 51 51
287 999 999
288 141 141
289 349 349
290 43 43
313 200 200
314 27 27
315 63 63
316 12 12
344 47 47
346 12 12
//