ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003820
RECORD_TITLE: 4-AMINOANTIPYRIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 4-AMINOANTIPYRIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₃N₃O
CH$EXACT_MASS: 203.10586
CH$SMILES: CC(=C(N)1)N(C)N(c(c2)cccc2)C(=O)1
CH$IUPAC: InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3
CH$LINK: INCHIKEY RLFWWDJHLFCNIJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8048860

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a59-9010000000-4a361f81858aeca9a9f5
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  39 4.9 49
  40 2.9 29
  41 3.9 39
  42 3.09 31
  43 3.4 34
  44 3.9 39
  51 7.9 79
  52 0.29 3
  53 1.9 19
  54 6.9 69
  55 3.9 39
  56 99.99 999
  57 63.9 639
  58 1.9 19
  77 13.9 139
  82 0.49 5
  83 26.9 269
  84 64.9 649
  85 3.9 39
  91 0.89 9
  92 2.9 29
  93 11.9 119
  103 2.4 24
  104 0.24 2
  109 2.9 29
  119 10.4 104
  201 3.9 39
  202 0.69 7
  203 43.9 439
  204 3.9 39
//