MassBank Record: KO003780



 (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003780
RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 168 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-052o-4900000000-5c34ff7c978e4b607f00 PK$NUM_PEAK: 61 PK$PEAK: m/z int. rel.int. 31.700 29703.0 1 42.100 3292082.5 72 43.000 44554.5 1 43.800 178218.0 4 44.800 549505.5 12 46.100 222772.5 5 54.900 44554.5 1 55.900 74257.5 2 57.200 1301981.5 28 58.300 64356.5 1 64.700 123762.5 3 67.000 103960.5 2 67.800 59406.0 1 68.700 59406.0 1 69.400 39604.0 1 74.000 44554.5 1 74.900 34653.5 1 77.100 970298.0 21 78.200 74257.5 2 79.200 1272278.5 28 80.000 207921.0 5 81.100 5599015.5 122 82.100 198020.0 4 82.900 128713.0 3 84.400 44554.5 1 89.000 222772.5 5 90.200 168317.0 4 91.000 45663412.0 999 93.200 2400992.5 53 94.100 1599011.5 35 95.100 361386.5 8 96.100 84158.5 2 103.100 1856437.5 41 105.100 831684.0 18 106.200 628713.5 14 107.100 12594072.0 276 108.200 2346537.0 51 109.200 27802008.0 608 111.100 79208.0 2 114.900 183168.5 4 116.100 64356.5 1 117.100 4415846.0 97 118.100 4079212.0 89 119.200 6391095.5 140 120.000 1742576.0 38 121.200 4881193.0 107 122.300 608911.5 13 123.400 84158.5 2 130.000 292079.5 6 130.900 168317.0 4 131.900 1138615.0 25 133.200 425743.0 9 134.100 5222777.5 114 135.100 29806960.5 652 136.000 237624.0 5 146.200 44554.5 1 147.900 237624.0 5 149.200 396040.0 9 150.300 17836651.5 390 169.500 19802.0 1 184.900 14851.5 1 //