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MassBank Record: KO003142

Histidinol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO003142
RECORD_TITLE: Histidinol; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-001i-9000000000-128590ab44ecade57be8
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  30.900 24752.5 2
  41.200 396040.0 32
  42.100 237624.0 19
  44.100 128713.0 10
  51.900 143564.5 12
  53.000 262376.5 21
  54.300 3242577.5 263
  55.100 257426.0 21
  56.200 465347.0 38
  60.200 1148516.0 93
  67.100 242574.5 20
  68.000 1589110.5 129
  69.100 306931.0 25
  69.900 34653.5 3
  80.000 509901.5 41
  81.200 12336646.0 999
  82.200 1628714.5 132
  83.200 945545.5 77
  91.100 69307.0 6
  92.700 19802.0 2
  95.200 1772279.0 144
//

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