ACCESSION: MSBNK-Keio_Univ-KO009100
RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-IT; MS2; m/z: 243; [M+H]+
DATE: 2011.05.10 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D166

CH$NAME: 1,5-Diphenylcarbohydrazide
CH$NAME: Diphenylcarbazide
CH$COMPOUND_CLASS: Non-Natural Product
CH$FORMULA: C₁₃H₁₄N₄O
CH$EXACT_MASS: 242.11676
CH$SMILES: O=C(NNc(c2)cccc2)NNc(c1)cccc1
CH$IUPAC: InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)
CH$LINK: CAS 140-22-7
CH$LINK: KEGG C11232
CH$LINK: NIKKAJI J5.651K
CH$LINK: PUBCHEM SID:13411
CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7059690

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60

MS$FOCUSED_ION: PRECURSOR_M/Z 243
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-004i-2590000000-bd7a2309bb7cc2079c36
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  75.0 105.76 1
  77.1 3027.58 9
  78.0 41.76 1
  79.1 609.04 2
  80.2 328.31 1
  85.2 10.02 1
  89.2 20.26 1
  92.1 3950.86 11
  93.1 56883.41 161
  94.1 20141.84 57
  95.1 1503.88 4
  96.0 134.39 1
  97.2 23.36 1
  103.1 15.41 1
  105.1 3200.81 9
  106.0 34.34 1
  107.1 105790.65 300
  108.1 2861.07 8
  109.0 2342.03 7
  110.1 343.21 1
  114.0 78.84 1
  119.0 82.62 1
  120.0 18.50 1
  122.1 131.01 1
  124.0 10.69 1
  132.0 135.44 1
  133.0 4663.50 13
  134.1 2794.16 8
  135.0 524.66 1
  135.9 114.01 1
  148.0 181.82 1
  149.2 62.41 1
  150.0 95018.47 269
  151.1 2209.47 6
  152.1 1930.04 5
  153.5 63.27 1
  160.9 55.41 1
  165.1 19.34 1
  166.2 122.18 1
  168.1 268.29 1
  169.1 361.64 1
  173.2 59.55 1
  174.2 14.38 1
  181.1 984.15 3
  182.1 847.02 2
  183.1 11689.45 33
  184.1 1530.55 4
  185.0 116.32 1
  187.1 246.51 1
  189.1 17.29 1
  191.0 116.46 1
  193.1 83.10 1
  197.0 115.93 1
  198.1 1340.35 4
  199.1 69.96 1
  200.1 2236.80 6
  201.1 351.58 1
  203.0 236.85 1
  207.1 234.57 1
  208.2 443.94 1
  209.1 2289.55 6
  210.2 207.85 1
  211.1 868.04 2
  212.0 112.37 1
  222.2 60.84 1
  223.1 352.88 1
  224.1 775.71 2
  225.1 922.88 3
  226.1 352798.10 999
  227.1 1444.65 4
  228.1 84.77 1
  241.3 14.17 1
  242.1 798.90 2
  243.1 3196.46 9
  244.2 74.93 1
  270.9 37.31 1
  288.2 82.96 1
//