MassBank Record: MSBNK-Keio_Univ-KO003140
ACCESSION: MSBNK-Keio_Univ-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
//