ACCESSION: MSBNK-Keio_Univ-KO003753
RECORD_TITLE: Pyridoxine; LC-ESI-QQ; MS2; CE:10 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 P053

CH$NAME: Pyridoxine
CH$NAME: Pyridoxol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁NO₃
CH$EXACT_MASS: 169.07389
CH$SMILES: OCc(c1)c(CO)c(O)c(C)n1
CH$IUPAC: InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
CH$LINK: CAS 65-23-6
CH$LINK: CHEBI 16709
CH$LINK: KEGG C00314
CH$LINK: NIKKAJI J2.356F
CH$LINK: PUBCHEM SID:3608
CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4023541

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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 170
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-0900000000-234e90d43a7febd7a098
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  59.200 24752.5 1
  71.700 29703.0 1
  73.500 24752.5 1
  78.100 628713.5 2
  79.900 44554.5 1
  82.900 64356.5 1
  90.900 29703.0 1
  93.200 34653.5 1
  95.200 103960.5 1
  96.000 29703.0 1
  99.800 19802.0 1
  106.800 108911.0 1
  107.000 69307.0 1
  108.800 79208.0 1
  110.800 24752.5 1
  121.000 1148516.0 3
  123.700 39604.0 1
  124.400 173267.5 1
  133.900 2915844.5 8
  135.000 257426.0 1
  137.800 1272278.5 3
  140.400 69307.0 1
  149.900 19802.0 1
  152.100 38762415.0 100
  153.100 4821787.0 12
  170.300 385653851.0 999
//