MassBank Record: KO001029



 Harman; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001029
RECORD_TITLE: Harman; LC-ESI-QQ; MS2; CE:20 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 H029

CH$NAME: Harman CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H10N2 CH$EXACT_MASS: 182.08440 CH$SMILES: CC1=NC=CC2=C1NC3=CC=CC=C23 CH$IUPAC: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3 CH$LINK: CAS 486-84-0 CH$LINK: KEGG C09209 CH$LINK: NIKKAJI J1.550D CH$LINK: PUBCHEM SID:11400
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 181 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-2900000000-37a11b66e75cedf3e072 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 42.200 113861.5 31 45.600 9901.0 3 59.100 495050.0 135 60.000 49505.0 13 67.700 19802.0 5 99.200 331683.5 90 115.300 64356.5 18 121.300 59406.0 16 124.400 19802.0 5 129.000 74257.5 20 134.900 14851.5 4 137.100 39604.0 11 163.000 14851.5 4 165.300 9901.0 3 181.200 3673271.0 999 //