MassBank Record: MSBNK-Waters-WA001408
ACCESSION: MSBNK-Waters-WA001408
RECORD_TITLE: Methocarbamol; 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$NAME: Methocarbamol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H15NO5
CH$EXACT_MASS: 241.09502
CH$SMILES: COc(c1)c(ccc1)OCC(O)COC(N)=O
CH$IUPAC: InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)
CH$LINK: CAS
532-03-6
CH$LINK: INCHIKEY
GNXFOGHNGIVQEH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6023286
AC$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$CHROMATOGRAPHY: RETENTION_TIME 12.620 min
AC$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: splash10-0329-0900000000-2dd4003da62a11b20974
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
103 196 196
105 313 313
106 8 8
107 157 157
108 12 12
110 192 192
111 31 31
115 8 8
118 999 999
119 35 35
120 39 39
121 313 313
122 345 345
123 243 243
125 615 615
126 31 31
131 63 63
132 39 39
133 27 27
135 435 435
136 47 47
137 137 137
138 8 8
145 39 39
148 125 125
149 16 16
151 215 215
152 8 8
163 607 607
164 47 47
181 20 20
199 27 27
237 8 8
248 39 39
249 8 8
264 364 364
265 35 35
280 35 35
//