MassBank Record: MSBNK-Waters-WA001255
ACCESSION: MSBNK-Waters-WA001255
RECORD_TITLE: Lysergide; 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$NAME: Lysergide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H25N3O
CH$EXACT_MASS: 323.19976
CH$SMILES: CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C
CH$IUPAC: InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
CH$LINK: CAS
50-37-3
CH$LINK: INCHIKEY
VAYOSLLFUXYJDT-RDTXWAMCSA-N
CH$LINK: COMPTOX
DTXSID1023231
AC$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$CHROMATOGRAPHY: RETENTION_TIME 12.600 min
AC$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: splash10-00di-0290000000-4b3b4b67186594ae099c
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
128 59 59
154 8 8
156 12 12
167 8 8
168 12 12
180 125 125
181 24 24
182 59 59
183 8 8
191 8 8
192 78 78
193 24 24
194 35 35
195 12 12
196 12 12
197 184 184
198 20 20
207 47 47
208 568 568
209 78 78
210 20 20
221 47 47
222 12 12
223 999 999
224 149 149
225 8 8
251 39 39
252 8 8
281 102 102
282 20 20
309 16 16
324 133 133
325 27 27
//