ACCESSION: MSBNK-Waters-WA002555
RECORD_TITLE: Noramidopyrine; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Noramidopyrine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₅N₃O
CH$EXACT_MASS: 217.12151
CH$SMILES: CNC(=C(C)1)C(=O)N(c(c2)cccc2)N(C)1
CH$IUPAC: InChI=1S/C12H15N3O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3
CH$LINK: CAS 519-98-2
CH$LINK: INCHIKEY JILCEWWZTBBOFS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80199865

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 10.050 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 30 V

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

PK$SPLASH: splash10-014i-0890000000-145c4f7e1ca06a0d43b6
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  100 31 31
  118 39 39
  125 451 451
  126 39 39
  133 12 12
  145 20 20
  146 71 71
  158 24 24
  159 290 290
  160 31 31
  161 31 31
  177 24 24
  187 266 266
  188 39 39
  203 16 16
  216 16 16
  218 999 999
  219 137 137
  240 176 176
  241 27 27
  256 82 82
  257 12 12
//