MassBank Record: MSBNK-Waters-WA000497
ACCESSION: MSBNK-Waters-WA000497
RECORD_TITLE: Medifoxamine; LC-ESI-Q; MS; POS; 75 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0900000000-48c1dc16bef999894500
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
103 161 161
104 27 27
105 78 78
106 78 78
107 721 721
108 999 999
109 20 20
116 298 298
118 309 309
119 168 168
120 204 204
121 94 94
130 82 82
131 106 106
132 278 278
133 47 47
134 133 133
144 78 78
146 74 74
148 298 298
149 427 427
150 20 20
152 27 27
162 12 12
164 239 239
165 16 16
258 110 110
//