MassBank Record: KO003614

Home Search Record Index Data Privacy Imprint

(-)-Norepinephrine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003614
RECORD_TITLE: (-)-Norepinephrine; 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 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$LINK: COMPTOX DTXSID5023378
CH$LINK: INCHIKEY SFLSHLFXELFNJZ-QMMMGPOBSA-N
CH$LINK: KEGG C00547
CH$LINK: NIKKAJI J9.223A
CH$LINK: PUBCHEM SID:3828

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

PK$SPLASH: splash10-0a4i-3900000000-918c4cbdffc5e02eafd5
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  43.9 64356.5 20.0
  54.8 39604.0 12.0
  64.7 44554.5 14.0
  68.7 54455.5 17.0
  70.5 19802.0 6.0
  77.0 222772.0 70.0
  78.9 633664.0 198.0
  80.0 44554.5 14.0
  80.9 99010.0 31.0
  81.3 74257.5 23.0
  83.3 163366.0 51.0
  89.2 54455.5 17.0
  90.9 108911.0 34.0
  92.1 34653.5 11.0
  93.0 376238.0 118.0
  95.0 207921.0 65.0
  96.2 420792.0 132.0
  97.3 242574.0 76.0
  99.8 44554.5 14.0
  105.8 544555.0 170.0
  106.9 3193070.0 999.0
  109.3 400990.0 125.0
  110.3 84158.5 26.0
  111.3 49505.0 15.0
  116.3 34653.5 11.0
  116.8 59406.0 19.0
  123.0 49505.0 15.0
  124.9 34653.5 11.0
  134.2 529704.0 166.0
  135.1 445545.0 139.0
  136.1 1158420.0 362.0
  152.2 113862.0 36.0
  153.0 292080.0 91.0
//