MassBank Record: KO001648



 (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: KO001648
RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, 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$LINK: PUBCHEM SID:9645
AC$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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 166 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-2900000000-34ccc7192518d4c14210 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 41.300 44554.5 2 43.200 108911.0 6 45.700 19802.0 1 54.500 19802.0 1 64.800 128713.0 7 66.700 44554.5 2 74.700 49505.0 3 77.100 247525.0 13 78.900 69307.0 4 80.000 79208.0 4 81.000 138614.0 7 88.100 94059.5 5 91.300 44554.5 2 93.000 6188125.0 323 95.000 1351486.5 71 96.100 103960.5 5 97.700 19802.0 1 105.200 683169.0 36 105.900 346535.0 18 107.600 49505.0 3 108.400 29703.0 2 118.800 24752.5 1 119.400 44554.5 2 121.200 19128732.0 999 121.900 3351488.5 175 123.000 1559407.5 81 131.700 301980.5 16 132.500 74257.5 4 133.200 54455.5 3 136.100 84158.5 4 138.100 54455.5 3 148.200 74257.5 4 150.000 29703.0 2 164.500 34653.5 2 166.200 386139.0 20 //