MassBank Record: MSBNK-Waters-WA001630
ACCESSION: MSBNK-Waters-WA001630
RECORD_TITLE: Etilefrin; 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$NAME: Etilefrin
CH$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 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0api-0900000000-e1826fec3ec98fe40bc6
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
101 12 12
102 16 16
103 125 125
105 223 223
106 443 443
107 999 999
108 153 153
109 266 266
110 20 20
111 24 24
113 27 27
115 12 12
116 31 31
117 423 423
118 670 670
119 137 137
120 309 309
121 82 82
123 24 24
128 8 8
129 20 20
130 31 31
131 27 27
132 31 31
133 51 51
134 791 791
135 247 247
136 39 39
137 8 8
142 8 8
144 20 20
145 8 8
146 12 12
148 20 20
164 259 259
165 24 24
182 462 462
183 39 39
187 8 8
//