MassBank Record: WA000661

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Nor-LSD; LC-ESI-Q; MS; POS; 60 V

Mass Spectrum
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ACCESSION: WA000661
RECORD_TITLE: Nor-LSD; 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$NAME: Nor-LSD
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H23N3O
CH$EXACT_MASS: 309.18410999999997557097231037914752960205078125
CH$SMILES: CCN(CC)C(=O)[C@H]1CN[C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1
CH$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$LINK: CAS 35779-43-2
CH$LINK: COMPTOX DTXSID80189307
CH$LINK: INCHIKEY SUXLVXOMPKZBOV-CXAGYDPISA-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: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: RETENTION_TIME 12.600 min
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0a4i-0490000000-ba7da27add67040033ba
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  100 12 12
  128 71 71
  154 24 24
  167 16 16
  168 27 27
  180 43 43
  181 20 20
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  183 153 153
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  192 125 125
  193 47 47
  194 121 121
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  196 8 8
  206 8 8
  207 74 74
  208 55 55
  209 999 999
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  237 235 235
  238 35 35
  281 20 20
  310 137 137
  311 27 27
  332 8 8
  619 8 8
//