MassBank Record: KO003782



 (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003782
RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 168 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-054o-9400000000-284961abd6764baa0d1d PK$NUM_PEAK: 52 PK$PEAK: m/z int. rel.int. 40.900 99010.0 14 42.100 2975250.5 418 43.100 79208.0 11 44.000 247525.0 35 44.900 198020.0 28 45.800 59406.0 8 51.100 118812.0 17 53.100 89109.0 13 55.400 183168.5 26 56.000 470297.5 66 57.300 628713.5 88 62.800 69307.0 10 65.100 3133666.5 440 66.000 336634.0 47 66.900 227723.0 32 68.200 34653.5 5 69.000 34653.5 5 70.200 14851.5 2 74.900 49505.0 7 76.900 6905947.5 969 78.000 198020.0 28 79.100 3212874.5 451 80.000 653466.0 92 81.100 648515.5 91 89.400 435644.0 61 90.100 935644.5 131 91.200 7118819.0 999 91.900 851486.0 119 93.100 361386.5 51 94.100 2257428.0 317 95.100 400990.5 56 101.900 29703.0 4 102.900 326733.0 46 104.200 39604.0 6 105.100 84158.5 12 106.200 1529704.5 215 107.200 6915848.5 971 108.200 539604.5 76 109.200 262376.5 37 109.900 39604.0 6 116.200 425743.0 60 117.300 618812.5 87 118.100 1044555.5 147 119.200 148515.0 21 120.200 935644.5 131 131.200 74257.5 10 132.100 69307.0 10 133.100 143564.5 20 134.100 1702972.0 239 135.100 326733.0 46 148.400 34653.5 5 410.500 29703.0 4 //