MassBank Record: KO003778



 (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003778
RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:10 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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 168 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0gb9-0900000000-e738818606836c1d6d1a PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 45.500 24752.5 1 46.000 346535.0 1 50.100 1316833.0 5 64.000 74257.5 1 68.100 386139.0 1 73.100 59406.0 1 75.800 39604.0 1 77.800 173267.5 1 82.300 886139.5 3 83.000 29703.0 1 89.000 450495.5 2 91.000 247525.0 1 92.200 89109.0 1 95.900 19802.0 1 99.700 14851.5 1 100.900 39604.0 1 104.100 69307.0 1 105.200 29703.0 1 106.200 49505.0 1 106.900 74257.5 1 108.400 44554.5 1 109.000 767327.5 3 117.200 64356.5 1 117.800 84158.5 1 119.300 638614.5 2 121.100 257426.0 1 122.200 79208.0 1 123.000 242574.5 1 131.900 207921.0 1 133.100 366337.0 1 134.400 69307.0 1 135.100 866337.5 3 136.300 1133664.5 4 150.200 194653660.0 716 151.100 8504959.0 31 168.200 271490370.5 999 186.400 14851.5 1 //