MassBank Record: PR010121



 Harmaline; GC-EI-TOF; MS; 1 TMS; BP:174 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010121
RECORD_TITLE: Harmaline; GC-EI-TOF; MS; 1 TMS; BP:174
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$NAME: Harmaline CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C13H14N2O CH$EXACT_MASS: 214.11061 CH$SMILES: COc(c3)cc(=N1)c(c3)=C(C2)C(=C(C)NC2)1 CH$IUPAC: InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,14H,5-6H2,1-2H3 CH$LINK: CAS 6027-98-1
AC$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 2819.1 AC$CHROMATOGRAPHY: RETENTION_TIME 612.979 sec
MS$FOCUSED_ION: BASE_PEAK 174 MS$FOCUSED_ION: DERIVATIVE_FORM C16H22N2OSi MS$FOCUSED_ION: DERIVATIVE_MASS 286.15014 MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-5900000000-7ecc052fde7d960b77f1 PK$NUM_PEAK: 121 PK$PEAK: m/z int. rel.int. 60 11 11 61 6 6 62 2 2 63 6 6 64 1 1 65 2 2 70 4 4 71 3 3 72 9 9 73 541 541 74 52 52 75 23 23 76 4 4 77 10 10 78 3 3 79 2 2 83 1 1 84 3 3 85 3 3 86 253 253 87 24 24 88 12 12 89 43 43 90 6 6 91 2 2 92 1 1 98 1 1 99 2 2 100 106 106 101 21 21 102 21 21 103 9 9 104 2 2 105 1 1 108 1 1 113 2 2 114 6 6 115 13 13 116 22 22 117 17 17 118 3 3 119 2 2 126 1 1 127 3 3 128 7 7 129 9 9 130 29 29 131 13 13 132 6 6 133 2 2 134 1 1 140 2 2 141 3 3 142 10 10 143 6 6 144 11 11 145 5 5 146 4 4 147 2 2 148 1 1 154 2 2 155 4 4 156 6 6 157 12 12 158 14 14 159 18 18 160 10 10 161 1 1 162 1 1 168 2 2 169 4 4 170 9 9 171 4 4 172 10 10 173 5 5 174 999 999 175 157 157 176 75 75 177 9 9 178 1 1 183 1 1 184 5 5 185 19 19 186 7 7 187 2 2 188 1 1 189 1 1 190 33 33 191 6 6 192 3 3 198 4 4 199 7 7 200 26 26 201 9 9 202 6 6 203 1 1 204 1 1 212 1 1 213 15 15 214 4 4 215 3 3 216 9 9 217 4 4 218 1 1 228 1 1 229 1 1 230 1 1 231 2 2 232 1 1 243 2 2 244 1 1 245 1 1 257 3 3 258 2 2 259 2 2 273 1 1 286 1 1 289 1 1 374 1 1 405 5 5 406 2 2 //