MassBank Record: MSBNK-Waters-WA000498
ACCESSION: MSBNK-Waters-WA000498
RECORD_TITLE: Medifoxamine; 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$NAME: Medifoxamine
CH$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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-07bb-0900000000-93917555add4300e298f
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
103 51 51
105 35 35
107 86 86
108 631 631
109 24 24
116 24 24
118 20 20
119 513 513
120 59 59
121 129 129
122 12 12
131 31 31
132 200 200
134 35 35
144 16 16
146 20 20
148 71 71
149 999 999
150 67 67
164 784 784
165 55 55
258 35 35
//