MassBank Record: WA000659



 Nor-LSD; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000659
RECORD_TITLE: Nor-LSD; 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: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Nor-LSD CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H23N3O CH$EXACT_MASS: 309.18411 CH$SMILES: CCN(CC)C(=O)C(C4)C=C(c31)C([H])(N4)Cc(c2)c(c(ccc3)n2)1 CH$IUPAC: InChI=1S/C19H23N3O/c1-3-22(4-2)19(23)13-8-15-14-6-5-7-16-18(14)12(10-20-16)9-17(15)21-11-13/h5-8,10,13,17,20-21H,3-4,9,11H2,1-2H3/t13-,17-/m1/s1 CH$LINK: CAS 35779-43-2
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 12.600 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00kf-0910000000-b6a6cb0900ee8f6481e9 PK$NUM_PEAK: 63 PK$PEAK: m/z int. rel.int. 115 51 51 116 8 8 117 27 27 127 20 20 128 43 43 129 67 67 130 35 35 139 31 31 140 43 43 141 86 86 142 20 20 143 16 16 144 8 8 145 12 12 152 47 47 153 129 129 154 219 219 155 90 90 156 51 51 157 8 8 164 24 24 165 188 188 166 82 82 167 603 603 168 243 243 169 47 47 170 12 12 172 8 8 178 16 16 179 27 27 180 388 388 181 180 180 182 215 215 183 157 157 184 31 31 190 8 8 191 188 188 192 317 317 193 999 999 194 349 349 195 55 55 196 24 24 197 8 8 205 16 16 206 102 102 207 388 388 208 145 145 209 294 294 210 39 39 211 16 16 212 16 16 219 12 12 220 8 8 221 31 31 222 24 24 223 8 8 235 8 8 236 12 12 237 27 27 310 161 161 311 31 31 332 8 8 619 12 12 //