MassBank Record: MSBNK-Keio_Univ-KO000961
ACCESSION: MSBNK-Keio_Univ-KO000961
RECORD_TITLE: L-Histidine; 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 H002
CH$NAME: His
CH$NAME: (S)-alpha-Amino-1H-imidazole-4-propionic acid
CH$NAME: L-Histidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H9N3O2
CH$EXACT_MASS: 155.06948
CH$SMILES: C1=C(NC=N1)C[C@@H](C(=O)O)N
CH$IUPAC: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
CH$LINK: CAS
71-00-1
CH$LINK: CHEBI
15971
CH$LINK: CHEMPDB HIS
CH$LINK: KEGG
C00135
CH$LINK: NIKKAJI
J4.881J
CH$LINK: PUBCHEM
SID:3435
CH$LINK: INCHIKEY
HNDVDQJCIGZPNO-YFKPBYRVSA-N
CH$LINK: COMPTOX
DTXSID9023126
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 154
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00l6-9000000000-ebf778679d4c6d6a6057
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
66.100 297030.0 145
67.100 851486.0 417
71.900 222772.5 109
74.200 69307.0 34
79.000 34653.5 17
80.000 683169.0 335
81.100 544555.0 267
91.800 34653.5 17
93.100 2039606.0 999
110.400 54455.5 27
118.100 29703.0 15
//