MassBank Record: KO002974



 Gramine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002974
RECORD_TITLE: Gramine; LC-ESI-QQ; MS2; CE:10 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 G041

CH$NAME: Gramine CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H14N2 CH$EXACT_MASS: 174.11570 CH$SMILES: CN(C)CC1=CNC2=CC=CC=C21 CH$IUPAC: InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3 CH$LINK: CAS 87-52-5 CH$LINK: KEGG C08304 CH$LINK: NIKKAJI J10.618F CH$LINK: PUBCHEM SID:10502
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 175 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0900000000-7ddf4cc8719b5bb02438 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 45.900 940595.0 18 60.100 14851.5 1 71.000 89109.0 2 74.100 64356.5 1 78.400 59406.0 1 78.900 54455.5 1 83.100 257426.0 5 85.100 19802.0 1 88.100 99010.0 2 89.000 44554.5 1 96.800 49505.0 1 98.500 39604.0 1 101.800 29703.0 1 103.200 24752.5 1 107.000 64356.5 1 110.700 54455.5 1 115.100 74257.5 1 120.800 133663.5 3 122.000 69307.0 1 129.300 34653.5 1 130.000 53410944.5 999 140.400 79208.0 1 142.800 366337.0 7 157.300 222772.5 4 158.000 2346537.0 44 175.100 17009918.0 318 //