MassBank Record: KO001378



 Milrinone; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001378
RECORD_TITLE: Milrinone; LC-ESI-QQ; MS2; CE:50 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 M037

CH$NAME: Milrinone CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H9N3O CH$EXACT_MASS: 211.07456 CH$SMILES: N#CC(C(=O)2)=CC(=C(C)N2)c(c1)ccnc1 CH$IUPAC: InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16) CH$LINK: CAS 78415-72-2 CH$LINK: KEGG C07224 CH$LINK: NIKKAJI J23.655A CH$LINK: PUBCHEM SID:9433
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 210 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-3900000000-047756d13498358fc54d PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 40.200 74257.5 20 41.100 49505.0 13 42.300 475248.0 128 49.900 69307.0 19 52.300 14851.5 4 59.500 19802.0 5 63.900 282178.5 76 65.100 495050.0 133 66.300 371287.5 100 78.200 34653.5 9 79.200 44554.5 12 82.900 39604.0 11 90.100 1232674.5 331 91.900 89109.0 24 92.300 133663.5 36 93.400 74257.5 20 105.400 44554.5 12 106.800 84158.5 23 108.000 44554.5 12 109.100 108911.0 29 110.100 19802.0 5 114.400 133663.5 36 115.100 74257.5 20 116.100 589109.5 158 117.200 836634.5 225 117.600 143564.5 39 130.900 9901.0 3 136.900 108911.0 29 139.200 118812.0 32 140.000 227723.0 61 141.200 886139.5 238 143.200 99010.0 27 149.000 39604.0 11 152.900 19802.0 5 164.200 59406.0 16 166.300 3717825.5 999 167.400 396040.0 106 168.400 143564.5 39 179.900 69307.0 19 192.700 39604.0 11 194.400 217822.0 59 208.100 49505.0 13 //