MassBank Record: MSBNK-Waters-WA001253
ACCESSION: MSBNK-Waters-WA001253
RECORD_TITLE: Lysergide; 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$NAME: Lysergide
CH$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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a59-0960000000-11eb40c6f02293a2e639
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
115 12 12
128 24 24
129 35 35
130 8 8
140 12 12
141 12 12
142 8 8
152 59 59
153 208 208
154 121 121
155 35 35
156 16 16
164 20 20
165 51 51
166 16 16
167 223 223
168 74 74
169 12 12
178 27 27
179 27 27
180 400 400
181 184 184
182 204 204
183 27 27
190 31 31
191 161 161
192 176 176
193 157 157
194 98 98
195 47 47
196 35 35
197 63 63
205 24 24
206 27 27
207 999 999
208 498 498
209 67 67
210 8 8
220 27 27
221 133 133
222 39 39
223 145 145
224 24 24
235 8 8
324 24 24
//