MassBank Record: MSBNK-Waters-WA002982
ACCESSION: MSBNK-Waters-WA002982
RECORD_TITLE: Mexiletine; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Mexiletine
CH$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 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0900000000-890640e9958933ccaf49
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
102 35 35
103 247 247
104 24 24
105 360 360
106 55 55
107 71 71
108 24 24
109 8 8
113 27 27
115 55 55
116 8 8
117 8 8
118 999 999
119 98 98
120 20 20
121 55 55
122 20 20
124 8 8
129 27 27
130 12 12
132 55 55
133 35 35
135 35 35
136 35 35
144 82 82
145 16 16
146 8 8
147 8 8
148 31 31
180 12 12
//