MassBank Record: PR010064



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

ACCESSION: PR010064
RECORD_TITLE: L-Norleucine; 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$NAME: L-Norleucine CH$NAME: L-Aminohexanoate CH$NAME: L-2-Aminohexanoate CH$NAME: L-Aminohexanoic acid CH$NAME: L-2-Aminohexanoic acid CH$NAME: (S)-2-Aminohexanoic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H13NO2 CH$EXACT_MASS: 131.09463 CH$SMILES: CCCC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 CH$LINK: CAS 327-57-1 CH$LINK: CHEBI 21203 CH$LINK: KEGG C01933 CH$LINK: NIKKAJI J9.189H CH$LINK: PUBCHEM 5038
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$CHROMATOGRAPHY: RETENTION_INDEX 1312.2 AC$CHROMATOGRAPHY: RETENTION_TIME 319.278 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C12H29NO2Si2 MS$FOCUSED_ION: DERIVATIVE_MASS 275.17368 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-05fr-8900000000-3cf84aa3585ea0262b9a PK$NUM_PEAK: 92 PK$PEAK: m/z int. rel.int. 60 24 24 61 18 18 62 2 2 63 1 1 65 1 1 66 9 9 67 4 4 69 5 5 70 11 11 71 7 7 72 20 20 73 999 999 74 100 100 75 84 84 76 8 8 77 14 14 78 1 1 79 4 4 80 2 2 81 3 3 82 4 4 83 2 2 84 12 12 85 8 8 86 38 38 87 7 7 88 3 3 89 2 2 94 1 1 95 1 1 96 3 3 97 2 2 98 8 8 99 3 3 100 72 72 101 14 14 102 33 33 103 22 22 104 3 3 105 4 4 110 1 1 112 3 3 113 2 2 114 25 25 115 22 22 116 6 6 117 13 13 118 3 3 119 4 4 126 1 1 128 20 20 129 7 7 130 14 14 131 15 15 132 14 14 133 29 29 134 5 5 135 2 2 142 7 7 143 3 3 144 2 2 146 3 3 147 100 100 148 16 16 149 9 9 150 1 1 156 3 3 157 1 1 158 859 859 159 134 134 160 41 41 161 4 4 163 1 1 170 11 11 171 2 2 172 1 1 174 3 3 175 1 1 186 2 2 188 1 1 202 1 1 203 1 1 216 1 1 218 27 27 219 6 6 220 2 2 232 34 34 233 11 11 234 4 4 260 11 11 261 2 2 262 1 1 //