MassBank Record: KO003781



 (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003781
RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 168 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-052f-9800000000-036a3eb2e3b11f203fd4 PK$NUM_PEAK: 58 PK$PEAK: m/z int. rel.int. 42.100 5039609.0 180 44.100 267327.0 10 45.200 440594.5 16 53.200 74257.5 3 55.100 168317.0 6 56.200 693070.0 25 57.300 1386140.0 50 58.200 34653.5 1 59.300 19802.0 1 65.100 1900992.0 68 66.000 89109.0 3 67.200 222772.5 8 68.100 64356.5 2 69.100 89109.0 3 76.600 356436.0 13 77.100 4024756.5 144 77.800 128713.0 5 79.200 3856439.5 138 79.900 935644.5 34 81.200 3579211.5 128 82.200 59406.0 2 82.900 54455.5 2 84.300 54455.5 2 89.200 143564.5 5 90.100 1108912.0 40 91.200 27896067.5 999 92.200 767327.5 27 93.100 1079209.0 39 94.100 4009905.0 144 95.100 460396.5 16 102.200 64356.5 2 103.000 1618813.5 58 104.200 128713.0 5 105.300 277228.0 10 106.100 2420794.5 87 107.000 18886157.5 676 108.200 2475250.0 89 109.200 4099014.0 147 111.100 79208.0 3 115.000 84158.5 3 116.300 336634.0 12 117.100 2311883.5 83 118.000 4574262.0 164 119.300 386139.0 14 119.900 2970300.0 106 121.000 415842.0 15 122.400 34653.5 1 130.000 178218.0 6 131.200 64356.5 2 131.900 272277.5 10 133.100 267327.0 10 134.300 6831690.0 245 135.200 5836639.5 209 136.400 19802.0 1 146.100 64356.5 2 148.000 227723.0 8 149.100 153465.5 5 150.400 366337.0 13 //