MassBank Record: MSBNK-Waters-WA001406
ACCESSION: MSBNK-Waters-WA001406
RECORD_TITLE: Methocarbamol; 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$NAME: Methocarbamol
CH$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 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00di-0900000000-7abb0dc024d5573ad5f4
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
102 35 35
103 498 498
104 31 31
105 274 274
106 12 12
107 35 35
108 12 12
109 47 47
110 313 313
111 20 20
115 51 51
116 8 8
118 121 121
119 63 63
120 31 31
121 999 999
122 325 325
123 31 31
124 12 12
130 8 8
131 71 71
132 20 20
134 8 8
135 27 27
136 8 8
137 8 8
147 47 47
148 27 27
163 8 8
248 16 16
264 106 106
265 12 12
280 67 67
281 8 8
282 8 8
//