MassBank Record: MSBNK-Waters-WA000496
ACCESSION: MSBNK-Waters-WA000496
RECORD_TITLE: Medifoxamine; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Medifoxamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H19NO2
CH$EXACT_MASS: 257.14158
CH$SMILES: CN(C)CC(Oc(c2)cccc2)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C16H19NO2/c1-17(2)13-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
CH$LINK: CAS
32359-34-5
CH$LINK: INCHIKEY
QNMGHBMGNRQPNL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80186078
AC$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$CHROMATOGRAPHY: RETENTION_TIME 13.460 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0aor-0900000000-f5c71f99d96e9b6e6d58
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
102 31 31
103 219 219
104 27 27
105 180 180
106 94 94
107 999 999
108 172 172
115 20 20
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117 102 102
118 713 713
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120 168 168
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144 102 102
145 12 12
146 67 67
147 24 24
148 184 184
149 51 51
152 20 20
157 31 31
160 24 24
164 153 153
165 12 12
258 137 137
259 12 12
//