ACCESSION: MSBNK-Waters-WA002634
RECORD_TITLE: Lenacil; 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$NAME: Lenacil
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈N₂O₂
CH$EXACT_MASS: 234.13683
CH$SMILES: C(C3)CCC(C3)N(C(=O)1)C(=O)C(C2)=C(CC2)N1
CH$IUPAC: InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)
CH$LINK: CAS 2164-08-1
CH$LINK: INCHIKEY ZTMKADLOSYKWCA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9042093

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 15.650 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$SPLASH: splash10-01p9-0900000000-a662c975f28cd96a8840
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  100 172 172
  105 39 39
  106 145 145
  107 125 125
  108 94 94
  109 51 51
  110 999 999
  111 78 78
  113 67 67
  117 16 16
  119 82 82
  121 51 51
  122 12 12
  123 16 16
  124 27 27
  127 90 90
  128 20 20
  130 12 12
  133 27 27
  135 509 509
  136 854 854
  137 67 67
  142 20 20
  144 12 12
  145 16 16
  152 16 16
  153 145 145
  155 12 12
  159 12 12
  167 12 12
  168 24 24
  179 12 12
  192 16 16
  207 12 12
  259 12 12
//