MassBank Record: PR010060



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

ACCESSION: PR010060
RECORD_TITLE: L-Histidinol; 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$NAME: L-Histidinol CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H11N3O CH$EXACT_MASS: 141.09021 CH$SMILES: OC[C@@H](N)Cc(c1)ncn1 CH$IUPAC: InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1 CH$LINK: CAS 1596-64-1 CH$LINK: NIKKAJI J311.564J
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$CHROMATOGRAPHY: RETENTION_INDEX 1846.1 AC$CHROMATOGRAPHY: RETENTION_TIME 451.939 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C15H35N3OSi3 MS$FOCUSED_ION: DERIVATIVE_MASS 357.20879 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0fk9-9540000000-9d5008be3cb2086af6f4 PK$NUM_PEAK: 138 PK$PEAK: m/z int. rel.int. 60 9 9 61 5 5 62 1 1 63 1 1 66 2 2 67 2 2 69 2 2 70 11 11 71 6 6 72 21 21 73 999 999 74 95 95 75 58 58 76 5 5 77 16 16 78 3 3 79 15 15 80 3 3 81 12 12 82 37 37 83 14 14 84 18 18 85 9 9 86 7 7 87 3 3 88 11 11 89 8 8 90 1 1 92 1 1 93 1 1 94 1 1 95 4 4 96 4 4 97 3 3 98 9 9 99 3 3 100 41 41 101 6 6 102 4 4 103 5 5 104 1 1 105 1 1 107 2 2 108 1 1 109 1 1 110 5 5 111 4 4 112 11 11 113 4 4 114 18 18 115 7 7 116 37 37 117 7 7 118 3 3 119 2 2 121 1 1 123 1 1 124 2 2 125 3 3 126 6 6 127 3 3 128 3 3 129 1 1 130 9 9 131 7 7 132 8 8 133 8 8 134 1 1 135 1 1 136 1 1 137 1 1 138 1 1 139 5 5 140 2 2 141 2 2 142 1 1 146 4 4 147 28 28 148 5 5 149 2 2 150 2 2 151 3 3 152 1 1 153 51 51 154 293 293 155 115 115 156 23 23 157 4 4 158 2 2 162 1 1 163 1 1 165 1 1 166 11 11 167 10 10 168 2 2 169 1 1 170 1 1 172 1 1 174 1 1 179 2 2 180 2 2 181 2 2 182 7 7 183 1 1 184 1 1 188 21 21 189 5 5 190 2 2 194 1 1 195 1 1 197 1 1 198 1 1 203 3 3 204 228 228 205 46 46 206 19 19 207 2 2 211 2 2 212 1 1 213 1 1 225 2 2 226 59 59 227 15 15 228 6 6 229 1 1 238 11 11 239 4 4 240 1 1 252 8 8 253 6 6 254 187 187 255 45 45 256 17 17 257 2 2 268 1 1 342 11 11 343 3 3 344 1 1 //