MassBank Record: KO001377



 Milrinone; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001377
RECORD_TITLE: Milrinone; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 210 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-1900000000-8e2c336e4e2425cca486 PK$NUM_PEAK: 57 PK$PEAK: m/z int. rel.int. 39.900 44554.5 9 41.600 69307.0 14 42.000 336634.0 69 46.100 59406.0 12 51.400 19802.0 4 59.000 34653.5 7 64.300 163366.5 34 65.000 450495.5 93 66.100 366337.0 75 76.600 34653.5 7 78.400 143564.5 30 80.200 64356.5 13 81.300 54455.5 11 82.000 79208.0 16 89.000 34653.5 7 90.000 1064357.5 219 92.000 89109.0 18 93.000 99010.0 20 93.300 59406.0 12 101.900 103960.5 21 104.600 108911.0 22 106.200 301980.5 62 107.200 504951.0 104 109.000 297030.0 61 114.300 74257.5 15 114.500 29703.0 6 116.200 1386140.0 285 117.100 1376239.0 283 117.900 321782.5 66 121.100 49505.0 10 121.900 34653.5 7 122.300 34653.5 7 132.300 24752.5 5 133.200 84158.5 17 133.900 34653.5 7 137.000 633664.0 130 140.000 306931.0 63 140.800 1589110.5 327 142.000 99010.0 20 143.000 1019803.0 210 147.800 39604.0 8 149.300 148515.0 31 149.900 34653.5 7 156.300 14851.5 3 164.900 29703.0 6 166.100 4861391.0 999 167.200 3064359.5 630 168.100 405941.0 83 177.100 34653.5 7 180.300 24752.5 5 181.700 74257.5 15 182.400 212871.5 44 183.400 74257.5 15 192.500 39604.0 8 194.100 425743.0 87 208.200 153465.5 32 210.100 1301981.5 268 //