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
  42.100 247525.0 5
  43.000 94059.5 2
  44.200 376238.0 8
  52.200 133663.5 3
  53.200 292079.5 6
  54.100 3623766.0 75
  56.200 777228.5 16
  57.100 79208.0 2
  57.800 29703.0 1
  60.100 3227726.0 67
  67.000 306931.0 6
  68.100 3747528.5 77
  69.000 495050.0 10
  69.900 99010.0 2
  73.800 29703.0 1
  76.900 84158.5 2
  78.000 69307.0 1
  80.000 1816833.5 37
  81.000 48430741.5 999
  82.000 3613865.0 75
  83.100 4747529.5 98
  86.300 44554.5 1
  91.200 113861.5 2
  91.400 49505.0 1
  95.100 9653475.0 199
  96.200 59406.0 1
  98.100 99010.0 2
  107.000 430693.5 9
  109.100 59406.0 1
  109.500 19802.0 1
  124.100 123762.5 3
  124.700 34653.5 1
  142.100 89109.0 2
//