ACCESSION: MSBNK-Waters-WA001834
RECORD_TITLE: Antipyrine; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-067i-0900000000-9d43460d9217d7dede72
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  102 67 67
  103 302 302
  104 662 662
  105 294 294
  106 999 999
  107 118 118
  108 12 12
  111 20 20
  112 8 8
  113 8 8
  115 380 380
  116 67 67
  117 627 627
  118 972 972
  119 153 153
  120 208 208
  121 27 27
  122 12 12
  128 55 55
  129 129 129
  130 541 541
  131 560 560
  132 380 380
  133 153 153
  134 82 82
  135 20 20
  136 8 8
  143 35 35
  144 180 180
  145 325 325
  146 204 204
  147 290 290
  148 39 39
  149 27 27
  155 12 12
  156 24 24
  157 31 31
  158 20 20
  159 59 59
  160 20 20
  161 24 24
  169 8 8
  170 12 12
  171 12 12
  172 27 27
  173 39 39
  174 63 63
  175 8 8
  189 94 94
  190 16 16
//