ACCESSION: MSBNK-Keio_Univ-KO002794
RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, 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$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 243
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004l-9200000000-50eef29ed4a16978745a
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  46.000 54455.5 8
  65.100 1287130.0 184
  72.300 19802.0 3
  77.000 7004957.5 999
  78.200 123762.5 18
  78.900 267327.0 38
  80.300 301980.5 43
  81.100 69307.0 10
  90.700 44554.5 6
  91.100 237624.0 34
  91.900 3589112.5 512
  93.000 2133665.5 304
  94.300 559406.5 80
  95.000 663367.0 95
  105.000 252475.5 36
  106.000 178218.0 25
  107.000 2262378.5 323
  108.200 1044555.5 149
  109.300 589109.5 84
  117.100 39604.0 6
  118.400 49505.0 7
  119.300 108911.0 16
  120.200 39604.0 6
  128.000 24752.5 4
  128.800 29703.0 4
  133.000 113861.5 16
  134.200 153465.5 22
  136.800 24752.5 4
  148.200 34653.5 5
  149.900 24752.5 4
  165.500 29703.0 4
  167.100 44554.5 6
  181.900 24752.5 4
  183.200 44554.5 6
//