MassBank Record: PR010067



 L-(-)-Proline; GC-EI-TOF; MS; 2 TMS; BP:142 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010067
RECORD_TITLE: L-(-)-Proline; GC-EI-TOF; MS; 2 TMS; BP:142
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$NAME: L-Proline CH$NAME: 2-Pyrrolidinecarboxylic acid CH$NAME: L-(-)-Proline CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H9NO2 CH$EXACT_MASS: 115.06333 CH$SMILES: OC(=O)C([H])(C1)NCC1 CH$IUPAC: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 CH$LINK: CAS 147-85-3 CH$LINK: CHEBI 17203 CH$LINK: CHEMPDB PRO CH$LINK: KEGG C00148 CH$LINK: NIKKAJI J9.117K CH$LINK: PUBCHEM 3448
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$CHROMATOGRAPHY: RETENTION_INDEX 1294.1 AC$CHROMATOGRAPHY: RETENTION_TIME 313.801 sec
MS$FOCUSED_ION: BASE_PEAK 142 MS$FOCUSED_ION: DERIVATIVE_FORM C11H25NO2Si2 MS$FOCUSED_ION: DERIVATIVE_MASS 259.14238 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-006x-8900000000-b31beabb1ed6235e7145 PK$NUM_PEAK: 93 PK$PEAK: m/z int. rel.int. 60 10 10 61 13 13 62 1 1 63 1 1 64 1 1 65 1 1 66 55 55 67 10 10 68 4 4 69 10 10 70 50 50 71 14 14 72 55 55 73 951 951 74 79 79 75 66 66 76 5 5 77 14 14 78 1 1 79 4 4 80 6 6 81 1 1 82 3 3 83 4 4 84 13 13 85 9 9 86 9 9 87 4 4 88 1 1 89 1 1 92 1 1 93 1 1 94 1 1 95 1 1 96 3 3 97 3 3 98 7 7 99 12 12 100 22 22 101 9 9 102 5 5 103 7 7 104 1 1 105 2 2 106 1 1 107 3 3 110 1 1 111 1 1 112 2 2 113 10 10 114 2 2 115 8 8 116 2 2 117 7 7 118 1 1 119 2 2 122 1 1 124 5 5 126 3 3 127 4 4 128 3 3 129 2 2 131 12 12 132 2 2 133 15 15 134 2 2 135 1 1 138 1 1 139 1 1 140 8 8 141 5 5 142 999 999 143 139 139 144 43 43 145 3 3 147 76 76 148 12 12 149 5 5 154 1 1 158 1 1 170 8 8 171 1 1 172 2 2 175 5 5 176 1 1 216 53 53 217 11 11 218 7 7 219 1 1 230 1 1 244 6 6 245 1 1 259 2 2 //