ACCESSION: MSBNK-Waters-WA002554
RECORD_TITLE: Noramidopyrine; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-0aor-0910000000-ae02ad748d695c057b71
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  100 55 55
  101 20 20
  103 12 12
  104 341 341
  105 12 12
  106 114 114
  107 47 47
  108 31 31
  109 35 35
  115 20 20
  116 12 12
  118 306 306
  119 20 20
  120 51 51
  123 24 24
  124 16 16
  125 462 462
  126 27 27
  128 133 133
  129 20 20
  130 98 98
  131 20 20
  132 313 313
  133 27 27
  134 51 51
  135 35 35
  140 16 16
  141 31 31
  142 39 39
  143 12 12
  144 47 47
  145 24 24
  146 454 454
  147 78 78
  149 20 20
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  158 145 145
  159 999 999
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  173 12 12
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  177 35 35
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  187 298 298
  188 63 63
  203 39 39
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  219 47 47
  240 400 400
  241 39 39
  256 47 47
//