MassBank Record: MSBNK-Waters-WA002980
ACCESSION: MSBNK-Waters-WA002980
RECORD_TITLE: Mexiletine; 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: CC BY-NC
CH$NAME: Mexiletine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H17NO
CH$EXACT_MASS: 179.13101
CH$SMILES: CC(N)COc(c(C)1)c(C)ccc1
CH$IUPAC: InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3
CH$LINK: CAS
31828-71-4
CH$LINK: INCHIKEY
VLPIATFUUWWMKC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8048446
AC$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$CHROMATOGRAPHY: RETENTION_TIME 12.350 min
AC$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: splash10-0ab9-0900000000-c653b9a04a07a35052ac
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
103 78 78
105 999 999
106 86 86
107 172 172
108 16 16
109 16 16
113 12 12
115 8 8
118 43 43
119 24 24
121 936 936
122 106 106
123 98 98
124 12 12
132 8 8
133 16 16
135 317 317
136 39 39
144 24 24
145 16 16
146 82 82
148 133 133
149 12 12
162 20 20
163 118 118
164 20 20
180 51 51
//
system version 2.2.8-SNAPSHOT