ACCESSION: MSBNK-EPA-ENTACT_AGILENT000452
RECORD_TITLE: 3-Methyl-1-phenyl-1H-pyrazol-5-amine; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0ac0-1900000000-c013cceb2946828315af
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  42.033826 16.5703 165
  44.049476 3.186512 31
  65.038577 1.42601 14
  77.038577 2.384486 23
  79.054227 6.376836 63
  92.049476 11.565283 115
  93.057301 5.445831 54
  104.049476 2.539772 25
  106.065126 99.999998 999
  116.049476 9.097575 90
  117.057301 4.494366 44
  118.065126 1.147154 11
  130.065126 11.477786 114
  132.0682 6.693662 66
  132.080776 4.620771 46
  133.076025 57.80649 577
  134.071274 10.090776 100
  142.05255 1.323867 13
  147.091675 2.590243 25
  156.0682 1.540996 15
  157.076025 8.010123 80
  159.079099 1.237879 12
  174.102574 85.594253 855
//