MassBank Record: KO003100



 Harmaline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003100
RECORD_TITLE: Harmaline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID H027

CH$NAME: Harmaline CH$COMPOUND_CLASS: N/A 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$LINK: CAS 304-21-2 CH$LINK: KEGG C06536 CH$LINK: NIKKAJI J11.607F CH$LINK: PUBCHEM SID:8766
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 215 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0590000000-024f454b415f8a65d57e PK$NUM_PEAK: 81 PK$PEAK: m/z int. rel.int. 38.700 39604.0 1 41.000 64356.5 1 43.100 24752.5 1 54.900 44554.5 1 56.900 59406.0 1 58.300 84158.5 1 63.300 79208.0 1 68.100 2613864.0 39 69.000 113861.5 2 71.800 59406.0 1 79.100 74257.5 1 80.800 69307.0 1 83.000 287129.0 4 85.400 34653.5 1 86.300 64356.5 1 86.600 24752.5 1 90.900 54455.5 1 93.100 103960.5 2 94.000 79208.0 1 95.400 29703.0 1 97.200 262376.5 4 100.300 108911.0 2 102.400 19802.0 1 105.100 267327.0 4 107.400 133663.5 2 108.900 64356.5 1 111.100 54455.5 1 114.000 24752.5 1 114.700 99010.0 1 115.400 29703.0 1 117.200 79208.0 1 118.700 39604.0 1 120.700 59406.0 1 122.300 59406.0 1 123.000 59406.0 1 124.400 24752.5 1 129.700 24752.5 1 131.200 405941.0 6 132.100 64356.5 1 133.200 19802.0 1 137.300 103960.5 2 138.800 19802.0 1 140.100 24752.5 1 142.400 183168.5 3 143.200 574258.0 9 144.100 79208.0 1 145.100 94059.5 1 146.100 89109.0 1 147.100 242574.5 4 148.100 108911.0 2 149.800 44554.5 1 150.200 138614.0 2 151.300 584159.0 9 155.100 514852.0 8 156.100 59406.0 1 157.400 64356.5 1 159.000 2064358.5 31 160.100 178218.0 3 162.500 29703.0 1 166.400 113861.5 2 167.200 722773.0 11 169.100 64356.5 1 169.500 34653.5 1 170.500 49505.0 1 171.200 475248.0 7 172.200 6321788.5 95 173.700 628713.5 9 174.200 28816860.5 435 183.300 1391090.5 21 184.300 133663.5 2 185.200 836634.5 13 186.400 341584.5 5 187.100 103960.5 2 188.500 321782.5 5 197.200 148515.0 2 198.100 10425753.0 157 199.200 732674.0 11 200.400 25504976.0 385 213.100 103960.5 2 213.500 84158.5 1 215.300 66133729.5 999 //