MassBank Record: MSBNK-Waters-WA002063
ACCESSION: MSBNK-Waters-WA002063
RECORD_TITLE: Metapramine; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Metapramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H18N2
CH$EXACT_MASS: 238.14700
CH$SMILES: CNC(C1)c(c3)c(ccc3)N(C)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C16H18N2/c1-17-14-11-12-7-3-5-9-15(12)18(2)16-10-6-4-8-13(14)16/h3-10,14,17H,11H2,1-2H3
CH$LINK: CAS
21730-16-5
CH$LINK: INCHIKEY
YXVZOBVWVRFPTE-UHFFFAOYSA-N
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 13.040 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0006-0900000000-d2857d159cce391ced4d
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
117 12 12
128 12 12
140 20 20
152 35 35
153 12 12
165 458 458
166 145 145
167 353 353
168 35 35
177 20 20
178 63 63
179 24 24
180 12 12
190 20 20
191 309 309
192 999 999
193 881 881
194 98 98
206 24 24
207 24 24
208 39 39
//