MassBank Record: MSBNK-Waters-WA002507
ACCESSION: MSBNK-Waters-WA002507
RECORD_TITLE: Tramadol; 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$NAME: Tramadol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H25NO2
CH$EXACT_MASS: 263.18853
CH$SMILES: COc(c2)cc(cc2)C(O)(C1)C(CN(C)C)CCC1
CH$IUPAC: InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
CH$LINK: CAS
27203-92-5
CH$LINK: INCHIKEY
TVYLLZQTGLZFBW-ZBFHGGJFSA-N
CH$LINK: COMPTOX
DTXSID90858931
AC$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, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-074i-0920000000-cba5a1bfce39a9a42c04
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
103 82 82
105 231 231
106 24 24
107 118 118
108 12 12
109 63 63
110 47 47
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115 82 82
116 47 47
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118 94 94
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160 43 43
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185 12 12
186 16 16
202 82 82
213 20 20
230 20 20
231 12 12
232 20 20
246 16 16
249 27 27
264 693 693
265 74 74
266 16 16
//
system version 2.2.8-SNAPSHOT