MassBank Record: PR010068



 L-5-Oxoproline; GC-EI-TOF; MS; 2 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010068
RECORD_TITLE: L-5-Oxoproline; GC-EI-TOF; MS; 2 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$NAME: L-Pyroglutamic acid CH$NAME: 5-Pyrrolidone-2-carboxylic acid CH$NAME: Pyroglutamate CH$NAME: Pyroglutamic acid CH$NAME: 5-Oxoproline CH$NAME: L-5-Oxoproline CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H7NO3 CH$EXACT_MASS: 129.04259 CH$SMILES: O=C(C1)NC(C1)C(O)=O CH$IUPAC: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 CH$LINK: CAS 98-79-3 CH$LINK: KEGG C01879 CH$LINK: NIKKAJI J4.959J CH$LINK: PUBCHEM 4992
AC$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 1519.7 AC$CHROMATOGRAPHY: RETENTION_TIME 376.732 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C11H23NO3Si2 MS$FOCUSED_ION: DERIVATIVE_MASS 273.12165 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0ab9-8900000000-f79dc90370ba38f587c9 PK$NUM_PEAK: 95 PK$PEAK: m/z int. rel.int. 60 9 9 61 17 17 62 1 1 63 1 1 65 1 1 66 24 24 67 13 13 69 2 2 70 17 17 71 10 10 72 39 39 73 999 999 74 90 90 75 89 89 76 8 8 77 20 20 78 3 3 79 18 18 80 5 5 81 1 1 82 4 4 83 5 5 84 23 23 85 15 15 86 18 18 87 6 6 88 1 1 89 1 1 93 1 1 94 3 3 95 1 1 96 1 1 97 2 2 98 5 5 99 7 7 100 13 13 101 4 4 102 3 3 103 5 5 104 1 1 105 2 2 108 2 2 110 3 3 111 1 1 112 17 17 113 6 6 114 8 8 115 6 6 116 2 2 117 9 9 118 1 1 119 2 2 122 3 3 124 1 1 126 2 2 127 2 2 128 2 2 129 4 4 130 1 1 131 15 15 132 4 4 133 28 28 134 4 4 135 2 2 139 1 1 140 20 20 141 6 6 142 4 4 143 1 1 147 159 159 148 25 25 149 14 14 150 1 1 154 7 7 155 5 5 156 950 950 157 125 125 158 42 42 159 3 3 168 1 1 170 1 1 172 1 1 174 1 1 186 1 1 190 1 1 214 8 8 215 2 2 228 2 2 230 59 59 231 14 14 232 5 5 258 55 55 259 12 12 260 5 5 273 1 1 //