ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011890
RECORD_TITLE: 4-AMINOANTIPYRINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-AMINOANTIPYRINE
CH$NAME: 4-AMINO-1,5-DIMETHYL-2-PHENYL-3H-PYRAZOL-3-ONE
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: CAS 83-07-8
CH$LINK: INCHIKEY RLFWWDJHLFCNIJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8048860

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-0pb9-9010000000-173f15d248e0d2eca946
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  15 7.12 71
  18 3.18 32
  27 3.71 37
  28 10.44 104
  29 2.97 30
  30 1.8 18
  38 2.66 27
  39 5.47 55
  40 1.83 18
  41 3.46 35
  42 43.13 431
  43 2.57 26
  50 3.21 32
  51 11.53 115
  52 4.23 42
  53 2.21 22
  54 8.82 88
  55 5.04 50
  56 99.99 999
  57 56.97 570
  58 1.89 19
  62 1.04 10
  63 4.48 45
  64 7.46 75
  65 5.48 55
  66 1.47 15
  67 1.19 12
  69 1.57 16
  76 1.42 14
  77 22.63 226
  78 3.77 38
  82 1.02 10
  83 20.63 206
  84 55.41 554
  85 2.66 27
  91 9.77 98
  92 3.67 37
  93 6.76 68
  109 1.28 13
  118 1.01 10
  119 7.89 79
  120 3.53 35
  147 2.01 20
  202 7.06 71
  203 77.37 774
  204 10.42 104
//