ACCESSION: MSBNK-EPA-ENTACT_AGILENT000451
RECORD_TITLE: 3-Methyl-1-phenyl-1H-pyrazol-5-amine; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3-Methyl-1-phenyl-1H-pyrazol-5-amine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₁N₃
CH$EXACT_MASS: 173.0952973731
CH$SMILES: CC1C=C(N)N(N=1)C1C=CC=CC=1
CH$IUPAC: InChI=1S/C10H11N3/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-7H,11H2,1H3
CH$LINK: CAS 1131-18-6
CH$LINK: INCHIKEY FMKMKBLHMONXJM-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:70801

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 174.1025738248
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00ou-9400000000-576eba69640ea1185b0b
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  28.018175 1.095822 10
  30.033826 2.612064 26
  39.022927 8.237467 82
  41.038577 2.296965 22
  42.033826 47.490523 474
  43.041651 1.097431 10
  44.049476 25.112135 250
  51.022927 13.661677 136
  54.033826 2.372789 23
  63.022927 2.897187 28
  65.038577 76.251513 761
  66.033826 2.727423 27
  66.046402 4.393387 43
  67.041651 1.469763 14
  68.049476 2.412284 24
  77.038577 100.000002 999
  78.033826 5.70377 56
  78.046402 4.286548 42
  79.054227 59.939557 598
  80.049476 4.408704 44
  81.044725 1.433164 14
  82.05255 1.286969 12
  83.060375 3.114474 31
  89.038577 31.792393 317
  90.033826 1.407517 14
  90.046402 14.938716 149
  91.041651 1.689089 16
  91.054227 2.707397 27
  92.049476 33.513834 334
  93.057301 19.95031 199
  96.055624 1.687533 16
  97.063449 1.552784 15
  103.054227 13.467888 134
  104.049476 23.147159 231
  105.057301 4.030956 40
  105.069877 1.464321 14
  106.065126 79.191642 791
  115.041651 1.511427 15
  115.054227 6.890278 68
  116.049476 15.419547 154
  117.057301 22.010247 219
  118.065126 2.53126 25
  119.060375 1.028296 10
  128.049476 2.280757 22
  128.062052 1.097094 10
  129.057301 1.545345 15
  130.065126 14.416513 144
  131.060375 11.806525 117
  132.0682 16.340881 163
  133.063449 1.241908 12
  133.076025 5.520922 55
  134.071274 4.629777 46
  140.049476 1.611221 16
  142.05255 2.352327 23
  155.060375 1.735032 17
  156.0682 2.045991 20
//