MassBank Record: MSBNK-Waters-WA001407
ACCESSION: MSBNK-Waters-WA001407
RECORD_TITLE: Methocarbamol; 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$NAME: Methocarbamol
CH$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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-05fr-0900000000-1a83c24d50c735982437
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
103 729 729
105 760 760
106 59 59
107 145 145
108 39 39
109 106 106
110 505 505
111 43 43
115 39 39
118 188 188
119 55 55
120 118 118
121 588 588
122 999 999
123 121 121
124 35 35
125 102 102
126 8 8
130 27 27
131 74 74
132 71 71
133 16 16
134 20 20
135 235 235
136 43 43
137 39 39
145 24 24
147 31 31
148 118 118
149 12 12
151 24 24
163 78 78
164 8 8
248 16 16
249 8 8
264 137 137
280 59 59
//