ACCESSION: MSBNK-Waters-WA002552
RECORD_TITLE: Noramidopyrine; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Noramidopyrine
CH$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 75 V, 90 V

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

PK$SPLASH: splash10-014i-0900000000-269a17d71edcb001bec7
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  100 125 125
  101 114 114
  102 145 145
  103 196 196
  104 744 744
  105 278 278
  106 462 462
  108 59 59
  109 59 59
  110 20 20
  112 20 20
  113 16 16
  114 121 121
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  120 121 121
  123 82 82
  124 31 31
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  133 192 192
  134 94 94
  135 31 31
  136 20 20
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  146 243 243
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  161 55 55
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  256 63 63
//