MassBank Record: MSBNK-Waters-WA000711
ACCESSION: MSBNK-Waters-WA000711
RECORD_TITLE: Pethidine; 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$NAME: Pethidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H21NO2
CH$EXACT_MASS: 247.15723
CH$SMILES: CCOC(=O)C(C2)(CCN(C)C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
CH$LINK: CAS
57-42-1
CH$LINK: INCHIKEY
XADCESSVHJOZHK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9023253
AC$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$CHROMATOGRAPHY: RETENTION_TIME 12.500 min
AC$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: splash10-00di-0590000000-70643210292ae185ea23
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
103 43 43
105 27 27
117 51 51
127 8 8
129 8 8
131 121 121
132 12 12
143 12 12
145 35 35
146 8 8
159 8 8
172 12 12
174 729 729
175 82 82
176 82 82
177 8 8
184 20 20
202 47 47
220 999 999
221 102 102
222 8 8
248 701 701
249 90 90
250 8 8
261 8 8
289 8 8
//