MassBank Record: PR010013



 Glycerol; GC-EI-TOF; MS; 3 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010013
RECORD_TITLE: Glycerol; GC-EI-TOF; MS; 3 TMS; BP:73
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$NAME: Glycerol CH$NAME: 1,2,3-Propanetriol CH$NAME: 1,2,3-Trihydroxypropane CH$NAME: Glycerin CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C3H8O3 CH$EXACT_MASS: 92.04734 CH$SMILES: OCC(O)CO CH$IUPAC: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 CH$LINK: CAS 56-81-5 CH$LINK: CHEBI 17754 CH$LINK: KEGG C00116 CH$LINK: NIKKAJI J1.916J CH$LINK: PUBCHEM 3416
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$CHROMATOGRAPHY: RETENTION_INDEX 1264.7 AC$CHROMATOGRAPHY: RETENTION_TIME 304.263 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C12H32O3Si3 MS$FOCUSED_ION: DERIVATIVE_MASS 308.16592 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00dj-6920000000-6828d7b00cb31e84fac1 PK$NUM_PEAK: 85 PK$PEAK: m/z int. rel.int. 60 10 10 61 18 18 62 1 1 66 14 14 67 2 2 70 4 4 71 7 7 72 24 24 73 999 999 74 85 85 75 74 74 76 5 5 77 7 7 84 1 1 85 8 8 86 1 1 87 10 10 88 7 7 89 34 34 90 3 3 91 1 1 99 4 4 101 57 57 102 8 8 103 287 287 104 27 27 105 16 16 106 1 1 113 6 6 114 1 1 115 17 17 116 22 22 117 295 295 118 29 29 119 24 24 120 2 2 121 1 1 128 2 2 129 58 58 130 7 7 131 42 42 132 6 6 133 130 130 134 17 17 135 11 11 136 1 1 143 1 1 145 1 1 146 1 1 147 503 503 148 78 78 149 52 52 150 6 6 151 2 2 159 3 3 161 1 1 162 1 1 163 8 8 164 1 1 165 1 1 174 2 2 175 17 17 176 4 4 177 22 22 178 3 3 179 2 2 189 5 5 190 1 1 191 23 23 192 5 5 193 2 2 203 25 25 204 34 34 205 218 218 206 42 42 207 19 19 208 2 2 217 12 12 218 92 92 219 18 18 220 8 8 221 3 3 263 1 1 293 6 6 294 1 1 //