MassBank Record: MSBNK-Waters-WA002981
ACCESSION: MSBNK-Waters-WA002981
RECORD_TITLE: Mexiletine; LC-ESI-Q; MS; POS; 60 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0900000000-b0fe9834cf27e0712ba5
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
103 345 345
104 27 27
105 999 999
106 86 86
107 106 106
108 24 24
109 20 20
113 20 20
115 16 16
117 8 8
118 470 470
119 55 55
120 8 8
121 329 329
122 78 78
123 35 35
124 12 12
128 8 8
129 12 12
130 8 8
132 39 39
133 27 27
135 102 102
136 27 27
144 121 121
145 24 24
146 59 59
148 114 114
149 12 12
162 8 8
163 12 12
180 16 16
//