MassBank Record: MSBNK-Waters-WA001917
ACCESSION: MSBNK-Waters-WA001917
RECORD_TITLE: Meclofenoxate; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Meclofenoxate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16ClNO3
CH$EXACT_MASS: 257.08187
CH$SMILES: CN(C)CCOC(=O)COc(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C12H16ClNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3
CH$LINK: CAS
51-68-3
CH$LINK: INCHIKEY
XZTYGFHCIAKPGJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9046940
AC$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$CHROMATOGRAPHY: RETENTION_TIME 12.780 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-01ox-0950000000-e17a7c3230cd2a987435
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
102 90 90
103 16 16
105 12 12
107 35 35
109 27 27
113 90 90
115 35 35
118 16 16
123 16 16
131 380 380
132 24 24
133 141 141
134 24 24
139 8 8
141 932 932
142 43 43
143 302 302
144 12 12
149 27 27
150 12 12
155 74 74
157 20 20
169 78 78
171 35 35
177 78 78
178 494 494
179 51 51
182 20 20
210 8 8
213 999 999
214 98 98
215 329 329
216 24 24
240 8 8
258 313 313
259 39 39
260 102 102
261 8 8
//