MassBank Record: KO002210



 Amidopyrine; 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: KO002210
RECORD_TITLE: Amidopyrine; 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 A069

CH$NAME: Aminopyrine CH$NAME: 4-Dimethylaminoantipyrine CH$NAME: Amidopyrine CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H17N3O CH$EXACT_MASS: 231.13716 CH$SMILES: CN(C)C(=C(C)1)C(=O)N(c(c2)cccc2)N(C)1 CH$IUPAC: InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3 CH$LINK: CAS 58-15-1 CH$LINK: KEGG C07539 CH$LINK: NIKKAJI J2.331K CH$LINK: PUBCHEM SID:9742
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 232 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-01vk-9400000000-243fad64356c2d2c4864 PK$NUM_PEAK: 104 PK$PEAK: m/z int. rel.int. 42.200 460396.5 4 43.000 133663.5 1 44.100 608911.5 5 46.000 84158.5 1 55.300 292079.5 2 56.200 42371329.5 329 57.300 267327.0 2 58.100 52861439.0 410 64.700 59406.0 1 66.600 39604.0 1 67.100 262376.5 2 68.200 1371288.5 11 69.200 158416.0 1 70.000 69153534.5 537 71.500 757426.5 6 72.100 63876301.5 496 73.000 74257.5 1 74.000 217822.0 2 77.000 504951.0 4 78.300 24752.5 1 79.200 188119.0 1 80.100 450495.5 3 82.200 11198031.0 87 83.200 1504952.0 12 84.200 22099032.0 172 85.100 1237625.0 10 85.900 242574.5 2 87.300 3297033.0 26 88.900 79208.0 1 91.100 133663.5 1 91.900 118812.0 1 93.300 24752.5 1 94.000 490099.5 4 95.000 217822.0 2 96.200 2509903.5 19 97.100 106505057.0 827 98.000 128688247.5 999 99.000 14495064.0 113 100.200 39604.0 1 101.200 212871.5 2 102.700 39604.0 1 104.000 227723.0 2 106.200 20599030.5 160 109.400 371287.5 3 111.200 97188216.0 754 112.100 84158.5 1 113.200 73896113.5 574 115.300 391089.5 3 116.200 14851.5 1 118.200 11544566.0 90 119.100 49505.0 1 120.200 306931.0 2 121.200 34653.5 1 123.000 980199.0 8 124.200 94059.5 1 125.200 148515.0 1 126.900 188119.0 1 128.000 509901.5 4 129.200 262376.5 2 130.100 574258.0 4 131.100 153465.5 1 131.900 3450498.5 27 133.100 1232674.5 10 134.200 1039605.0 8 137.100 19802.0 1 139.100 252475.5 2 140.100 69307.0 1 141.300 183168.5 1 141.900 198020.0 2 143.000 133663.5 1 144.100 262376.5 2 145.200 158416.0 1 146.200 1470298.5 11 147.200 425743.0 3 147.800 64356.5 1 149.400 3668320.5 28 157.000 173267.5 1 158.100 539604.5 4 159.200 6247531.0 48 160.400 153465.5 1 161.300 123762.5 1 162.500 59406.0 1 163.500 89109.0 1 169.300 49505.0 1 170.100 79208.0 1 171.200 113861.5 1 172.300 341584.5 3 173.200 579208.5 4 174.100 123762.5 1 175.200 930694.0 7 177.200 3440597.5 27 185.000 475248.0 4 187.300 891090.0 7 188.300 985149.5 8 197.100 34653.5 1 199.300 242574.5 2 200.300 69307.0 1 201.500 435644.0 3 202.400 1074258.5 8 203.900 29703.0 1 214.300 301980.5 2 216.300 1668318.5 13 217.300 861387.0 7 232.500 301980.5 2 //