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MassBank Record: KO003138

Histidinol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003138
RECORD_TITLE: Histidinol; LC-ESI-QQ; MS2; CE:10 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 H069

CH$NAME: Histidinol
CH$NAME: L-Histidinol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H11N3O
CH$EXACT_MASS: 141.09021
CH$SMILES: C1=C(NC=N1)C[C@@H](CO)N
CH$IUPAC: InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1
CH$LINK: KEGG C00860
CH$LINK: PUBCHEM SID:4117
CH$LINK: INCHIKEY ZQISRDCJNBUVMM-YFKPBYRVSA-N
CH$LINK: COMPTOX DTXSID50863460

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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 142
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-0900000000-3a563827d1023d4dadd7
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  50.200 54455.5 1
  53.900 14851.5 1
  60.200 19802.0 1
  61.400 49505.0 1
  69.200 430693.5 1
  71.200 29703.0 1
  73.900 386139.0 1
  78.000 1460397.5 5
  79.800 54455.5 1
  80.900 2351487.5 7
  82.300 118812.0 1
  83.200 727723.5 2
  91.800 39604.0 1
  95.000 1396041.0 4
  97.200 59406.0 1
  97.800 54455.5 1
  105.900 118812.0 1
  107.200 846535.5 3
  109.800 54455.5 1
  110.500 94059.5 1
  124.200 48752524.0 155
  125.200 4371291.5 14
  141.400 123762.5 1
  142.300 314792394.0 999
//

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