ACCESSION: MSBNK-Keio_Univ-KO003612
RECORD_TITLE: (-)-Norepinephrine; 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 N028

CH$NAME: Noradrenaline
CH$NAME: Arterenol
CH$NAME: 4-[(1R)-2-Amino-1-hydroxyethyl]-1,2-benzenediol
CH$NAME: L-Noradrenaline
CH$NAME: Norepinephrine
CH$NAME: (-)-Norepinephrine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁NO₃
CH$EXACT_MASS: 169.07389
CH$SMILES: NC[C@H](O)c(c1)cc(O)c(O)c1
CH$IUPAC: InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
CH$LINK: CAS 51-41-2
CH$LINK: CHEBI 18357
CH$LINK: CHEMPDB LNR
CH$LINK: KEGG C00547
CH$LINK: NIKKAJI J9.223A
CH$LINK: PUBCHEM SID:3828
CH$LINK: INCHIKEY SFLSHLFXELFNJZ-QMMMGPOBSA-N
CH$LINK: COMPTOX DTXSID5023378

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$SPLASH: splash10-0udi-0900000000-11725b1d61843966aa7c
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  78.300 549505.5 62
  79.200 24752.5 3
  91.200 59406.0 7
  93.100 64356.5 7
  95.100 143564.5 16
  102.400 24752.5 3
  105.900 54455.5 6
  106.800 99010.0 11
  108.000 44554.5 5
  108.900 49505.0 6
  109.900 29703.0 3
  120.600 34653.5 4
  131.500 69307.0 8
  134.900 435644.0 49
  138.000 74257.5 8
  152.200 8871296.0 999
  153.300 7900998.0 890
  170.300 2975250.5 335
  171.700 19802.0 2
//