MassBank Record: KO001647



 (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001647
RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P059

CH$NAME: Phenylephrine CH$NAME: (R)-(-)-Phenylephrine CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H13NO2 CH$EXACT_MASS: 167.09463 CH$SMILES: CNC[C@H](O)c(c1)cc(O)cc1 CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1 CH$LINK: CAS 59-42-7 CH$LINK: KEGG C07441 CH$LINK: NIKKAJI J8.601K CH$LINK: PUBCHEM SID:9645 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 166 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-0900000000-15132688bbc7ac0be42f PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 57.300 24752.5 1 72.100 34653.5 2 77.200 44554.5 2 80.200 34653.5 2 81.000 143564.5 7 82.800 44554.5 2 85.800 118812.0 6 87.900 108911.0 6 93.000 2292081.5 117 95.000 1405942.0 72 96.300 212871.5 11 96.700 54455.5 3 98.100 24752.5 1 104.900 792080.0 40 106.900 94059.5 5 109.000 69307.0 4 112.100 29703.0 2 119.500 138614.0 7 121.000 9168326.0 467 122.200 19594079.0 999 123.100 11618823.5 592 124.000 74257.5 4 128.100 24752.5 1 130.300 49505.0 3 131.900 49505.0 3 133.200 202970.5 10 134.700 44554.5 2 135.100 64356.5 3 135.900 74257.5 4 138.300 316832.0 16 138.800 9901.0 1 145.900 9901.0 1 148.000 435644.0 22 150.200 84158.5 4 151.100 217822.0 11 164.100 123762.5 6 166.300 18366355.0 936 //