MassBank Record: MSBNK-Waters-WA001631
ACCESSION: MSBNK-Waters-WA001631
RECORD_TITLE: Etilefrin; 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$NAME: Etilefrin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H15NO2
CH$EXACT_MASS: 181.11028
CH$SMILES: CCNCC(O)c(c1)cc(O)cc1
CH$IUPAC: InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3
CH$LINK: CAS
709-55-7
CH$LINK: INCHIKEY
SQVIAVUSQAWMKL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1023029
AC$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$CHROMATOGRAPHY: RETENTION_TIME 3.900 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0apr-0900000000-89acf5090836d378ff84
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
103 165 165
105 78 78
106 110 110
107 517 517
108 149 149
109 846 846
110 55 55
111 24 24
113 8 8
115 12 12
117 141 141
118 588 588
119 541 541
120 168 168
121 270 270
128 16 16
130 8 8
131 20 20
132 43 43
134 678 678
135 999 999
136 298 298
137 27 27
145 24 24
146 8 8
147 20 20
148 31 31
162 8 8
164 568 568
165 35 35
182 333 333
183 24 24
//