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MassBank Record: KO003140

Histidinol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003140
RECORD_TITLE: Histidinol; 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 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 30 V

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

PK$SPLASH: splash10-001i-9000000000-98f4a65357b52f544e0c
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  38.800 29703.0 1
  42.200 99010.0 1
  42.900 69307.0 1
  44.100 698020.5 7
  53.100 74257.5 1
  54.200 435644.0 4
  55.800 89109.0 1
  56.100 292079.5 3
  57.200 44554.5 1
  58.300 39604.0 1
  60.100 4702975.0 46
  67.200 89109.0 1
  68.000 1618813.5 16
  69.100 970298.0 9
  73.900 74257.5 1
  77.800 64356.5 1
  80.100 2673270.0 26
  81.100 102846637.5 999
  82.200 2242576.5 22
  83.000 10569317.5 103
  86.200 34653.5 1
  90.900 133663.5 1
  91.500 24752.5 1
  92.900 128713.0 1
  95.200 26381214.5 256
  96.300 212871.5 2
  97.100 970298.0 9
  98.200 207921.0 2
  98.900 118812.0 1
  107.000 3242577.5 31
  109.100 198020.0 2
  124.100 4866341.5 47
  124.900 1732675.0 17
  142.200 1173268.5 11
//

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