MassBank Record: PR010006



 (R)-(-)-Phenylephrine; GC-EI-TOF; MS; 2 TMS; BP:116 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010006
RECORD_TITLE: (R)-(-)-Phenylephrine; GC-EI-TOF; MS; 2 TMS; BP:116
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: (R)-(-)-Phenylephrine CH$NAME: Transferred to D00511 CH$COMPOUND_CLASS: Natural Product CH$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 61-76-7 CH$LINK: KEGG C07442 CH$LINK: PUBCHEM 9646
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_INDEX 1769.5 AC$CHROMATOGRAPHY: RETENTION_TIME 435.636 sec
MS$FOCUSED_ION: BASE_PEAK 116 MS$FOCUSED_ION: DERIVATIVE_FORM C15H29NO2Si2 MS$FOCUSED_ION: DERIVATIVE_MASS 311.17368 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-01b9-6900000000-bbdd210a846be116dbcd PK$NUM_PEAK: 102 PK$PEAK: m/z int. rel.int. 60 4 4 61 5 5 63 1 1 65 2 2 66 2 2 70 3 3 71 3 3 72 12 12 73 751 751 74 64 64 75 42 42 76 3 3 77 12 12 78 1 1 79 2 2 83 1 1 84 1 1 85 1 1 86 12 12 87 3 3 88 3 3 89 4 4 90 1 1 91 10 10 92 1 1 93 1 1 95 2 2 100 6 6 101 4 4 102 3 3 103 5 5 104 2 2 105 7 7 107 1 1 114 2 2 115 5 5 116 999 999 117 129 129 118 45 45 119 7 7 120 1 1 121 2 2 130 2 2 131 7 7 132 2 2 133 12 12 134 2 2 135 6 6 136 1 1 137 1 1 145 2 2 146 2 2 147 70 70 148 12 12 149 11 11 150 1 1 151 6 6 152 1 1 159 1 1 160 1 1 161 5 5 162 1 1 163 8 8 164 1 1 165 2 2 174 1 1 175 1 1 176 1 1 177 9 9 178 2 2 179 8 8 180 1 1 181 1 1 190 1 1 191 2 2 192 1 1 193 6 6 194 1 1 195 1 1 204 2 2 205 1 1 206 2 2 207 2 2 209 1 1 220 3 3 221 2 2 222 1 1 223 1 1 237 6 6 238 1 1 251 4 4 252 2 2 264 1 1 265 1 1 267 9 9 268 8 8 269 2 2 280 1 1 294 1 1 368 8 8 369 3 3 370 1 1 //