MassBank Record: MSBNK-Waters-WA002663
ACCESSION: MSBNK-Waters-WA002663
RECORD_TITLE: Terbutaline; 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$NAME: Terbutaline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H19NO3
CH$EXACT_MASS: 225.13649
CH$SMILES: CC(C)(C)NCC(O)c(c1)cc(O)cc(O)1
CH$IUPAC: InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
CH$LINK: CAS
23031-25-6
CH$LINK: INCHIKEY
XWTYSIMOBUGWOL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7021310
AC$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$CHROMATOGRAPHY: RETENTION_TIME 2.650 min
AC$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: splash10-0pdi-0900000000-d8e3deeb7209199252dd
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
106 16 16
107 999 999
108 63 63
109 47 47
110 168 168
116 16 16
125 815 815
126 43 43
134 27 27
135 114 114
152 607 607
153 43 43
170 12 12
226 157 157
227 12 12
//