MassBank Record: PR010033



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

ACCESSION: PR010033
RECORD_TITLE: L-Histidine; 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$NAME: L-Histidine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H9N3O2 CH$EXACT_MASS: 155.06948 CH$SMILES: OC(=O)C(N)Cc(c1)ncn1 CH$IUPAC: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 CH$LINK: CAS 5934-29-2 CH$LINK: NIKKAJI J98.181H
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$CHROMATOGRAPHY: RETENTION_INDEX 1913.1 AC$CHROMATOGRAPHY: RETENTION_TIME 465.881 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C15H33N3O2Si3 MS$FOCUSED_ION: DERIVATIVE_MASS 371.18806 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0fk9-8910000000-a3231b1a418b5798ecac PK$NUM_PEAK: 129 PK$PEAK: m/z int. rel.int. 60 7 7 61 6 6 62 1 1 63 1 1 66 2 2 67 2 2 69 2 2 70 10 10 71 6 6 72 23 23 73 999 999 74 92 92 75 71 71 76 6 6 77 23 23 78 3 3 79 14 14 80 2 2 81 16 16 82 39 39 83 16 16 84 20 20 85 11 11 86 9 9 87 2 2 89 1 1 92 1 1 93 2 2 94 1 1 95 2 2 96 4 4 97 3 3 98 9 9 99 3 3 100 59 59 101 11 11 102 5 5 103 4 4 105 1 1 108 1 1 109 2 2 110 7 7 111 4 4 112 13 13 113 3 3 114 1 1 115 2 2 116 2 2 117 4 4 118 1 1 119 1 1 120 1 1 121 1 1 123 1 1 124 2 2 125 3 3 126 11 11 127 2 2 128 3 3 129 1 1 130 7 7 131 8 8 132 13 13 133 9 9 134 2 2 135 1 1 136 1 1 137 1 1 138 1 1 139 5 5 140 2 2 141 1 1 144 1 1 146 1 1 147 39 39 148 6 6 149 3 3 150 3 3 151 2 2 152 1 1 153 28 28 154 864 864 155 180 180 156 45 45 157 5 5 158 2 2 159 2 2 160 1 1 163 1 1 165 1 1 166 13 13 167 5 5 168 1 1 174 2 2 180 1 1 181 1 1 182 7 7 183 3 3 184 2 2 203 2 2 211 1 1 218 35 35 219 6 6 220 3 3 225 2 2 226 10 10 227 3 3 228 1 1 238 23 23 239 7 7 240 3 3 241 1 1 252 1 1 253 1 1 254 132 132 255 33 33 256 12 12 257 7 7 258 1 1 266 5 5 267 1 1 328 3 3 329 1 1 338 1 1 356 9 9 357 3 3 358 1 1 371 3 3 372 1 1 //