ACCESSION: KO003614 RECORD_TITLE: (-)-Norepinephrine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ DATE: 2011.05.10 (Created 2007.07.07) 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$LINK: PUBCHEM SID:3828 AC$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$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 43.900 64356.5 20 54.800 39604.0 12 64.700 44554.5 14 68.700 54455.5 17 70.500 19802.0 6 77.000 222772.5 70 78.900 633664.0 198 80.000 44554.5 14 80.900 99010.0 31 81.300 74257.5 23 83.300 163366.5 51 89.200 54455.5 17 90.900 108911.0 34 92.100 34653.5 11 93.000 376238.0 118 95.000 207921.0 65 96.200 420792.5 132 97.300 242574.5 76 99.800 44554.5 14 105.800 544555.0 170 106.900 3193072.5 999 109.300 400990.5 125 110.300 84158.5 26 111.300 49505.0 15 116.300 34653.5 11 116.800 59406.0 19 123.000 49505.0 15 124.900 34653.5 11 134.200 529703.5 166 135.100 445545.0 139 136.100 1158417.0 362 152.200 113861.5 36 153.000 292079.5 91 //