ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010803
RECORD_TITLE: 4-AMINO-1,5-DIMETHYL-2-PHENYL-4-PYRAZOLIN--3-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 4-AMINO-1,5-DIMETHYL-2-PHENYL-4-PYRAZOLIN--3-ONE
CH$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$LINK: INCHIKEY RLFWWDJHLFCNIJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8048860

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0a4i-9010000000-32efbc2432ef27d8cd92
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  41 1.99 20
  42 27.71 277
  43 1.36 14
  50 1.39 14
  51 5.71 57
  52 1.73 17
  53 1.11 11
  54 4.52 45
  55 3.49 35
  56 99.99 999
  57 66.11 661
  58 2.49 25
  63 1.69 17
  64 2.82 28
  65 2.36 24
  66 1.02 10
  67 1.55 16
  77 11.76 118
  78 1.34 13
  82 1.1 11
  83 22.46 225
  84 56.33 563
  85 2.97 30
  91 3.36 34
  92 1.41 14
  93 5.06 51
  109 1.44 14
  119 5.3 53
  120 1.57 16
  201 1.44 14
  202 5.74 57
  203 55.58 556
  204 7.58 76
//