MassBank Record: MSBNK-Keio_Univ-KO003141
ACCESSION: MSBNK-Keio_Univ-KO003141
RECORD_TITLE: Histidinol; 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 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 142
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9000000000-5921f5ed9c6159fbe48e
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
41.000 232673.5 5
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52.200 133663.5 3
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107.000 430693.5 9
109.100 59406.0 1
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142.100 89109.0 2
//