ACCESSION: MSBNK-Waters-WA001835
RECORD_TITLE: Antipyrine; 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$NAME: Antipyrine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂N₂O
CH$EXACT_MASS: 188.09496
CH$SMILES: CC(=C2)N(C)N(C(=O)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
CH$LINK: CAS 60-80-0
CH$LINK: INCHIKEY VEQOALNAAJBPNY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021117

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 11.790 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 60 V

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

PK$SPLASH: splash10-00m1-0900000000-3a03b453b5253be509a8
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  103 125 125
  104 494 494
  105 200 200
  106 611 611
  107 74 74
  108 8 8
  111 43 43
  113 8 8
  115 110 110
  116 12 12
  117 466 466
  118 470 470
  119 67 67
  120 294 294
  121 43 43
  128 20 20
  129 74 74
  130 400 400
  131 599 599
  132 325 325
  133 157 157
  134 82 82
  135 20 20
  143 24 24
  144 282 282
  145 262 262
  146 368 368
  147 552 552
  148 78 78
  149 51 51
  150 8 8
  156 8 8
  157 47 47
  158 31 31
  159 43 43
  160 20 20
  161 114 114
  162 16 16
  170 8 8
  171 12 12
  172 59 59
  173 31 31
  174 161 161
  175 24 24
  189 999 999
  190 141 141
  191 8 8
//