MassBank Record: MSBNK-Waters-WA001249
ACCESSION: MSBNK-Waters-WA001249
RECORD_TITLE: Methylphenidate; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Methylphenidate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H19NO2
CH$EXACT_MASS: 233.14158
CH$SMILES: COC(=O)C(C(C2)NCCC2)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
CH$LINK: CAS
113-45-1
CH$LINK: INCHIKEY
DUGOZIWVEXMGBE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5023299
AC$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$CHROMATOGRAPHY: RETENTION_TIME 11.900 min
AC$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
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00or-0900000000-867de87f25c8fdf173b5
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
103 51 51
104 27 27
105 98 98
106 27 27
115 740 740
116 82 82
117 161 161
118 47 47
119 20 20
121 172 172
122 8 8
125 16 16
127 12 12
128 313 313
129 999 999
130 82 82
131 67 67
132 27 27
141 59 59
142 137 137
143 24 24
144 20 20
145 43 43
146 98 98
147 12 12
152 8 8
155 43 43
156 24 24
157 35 35
159 8 8
172 8 8
174 172 172
175 24 24
213 8 8
234 90 90
235 16 16
//