ACCESSION: MSBNK-Keio_Univ-KO002793
RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-054o-9600000000-7ddbd441c5c481cca900
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  63.300 29703.0 4
  65.200 242574.5 35
  71.300 29703.0 4
  77.100 6242580.5 911
  79.100 262376.5 38
  80.300 163366.5 24
  81.000 69307.0 10
  85.100 49505.0 7
  90.300 64356.5 9
  92.100 5856441.5 855
  93.100 3485152.0 509
  94.200 1049506.0 153
  95.000 1123763.5 164
  95.700 19802.0 3
  99.100 29703.0 4
  105.000 762377.0 111
  106.000 138614.0 20
  106.900 6846541.5 999
  108.200 1792081.0 261
  109.100 564357.0 82
  112.000 49505.0 7
  116.400 24752.5 4
  119.200 79208.0 12
  120.200 113861.5 17
  122.700 29703.0 4
  128.000 84158.5 12
  129.500 19802.0 3
  133.100 430693.5 63
  134.100 509901.5 74
  135.000 128713.0 19
  137.400 9901.0 1
  138.900 24752.5 4
  147.100 49505.0 7
  150.100 34653.5 5
  151.400 94059.5 14
  152.000 49505.0 7
  156.900 29703.0 4
  161.900 24752.5 4
  166.400 44554.5 7
  171.000 24752.5 4
  175.100 44554.5 7
  175.900 188119.0 27
  181.300 74257.5 11
  182.100 69307.0 10
  183.300 118812.0 17
  184.000 59406.0 9
  193.500 94059.5 14
  198.200 202970.5 30
  208.200 193069.5 28
  226.500 84158.5 12
//