MassBank Record: JEL00028



 Atrazine; MALDI-TOFTOF; MS2; CE: 20kV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JEL00028
RECORD_TITLE: Atrazine; MALDI-TOFTOF; MS2; CE: 20kV; [M+H]+
DATE: 2016.01.19 (2012.06.18)
AUTHORS: , JEOL Ltd.
LICENSE: CC BY-NC-SA
COPYRIGHT: Copyright (c) 2012 JEOL Ltd.

CH$NAME: Atrazine CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C8H14ClN5 CH$EXACT_MASS: 215.09377 CH$SMILES: CCNc(n1)nc(NC(C)C)nc(Cl)1 CH$IUPAC: InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14) CH$LINK: INCHIKEY MXWJVTOOROXGIU-UHFFFAOYSA-N
AC$INSTRUMENT: JMS-S3000 AC$INSTRUMENT_TYPE: MALDI-TOFTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_M/Z 216.10105
PK$SPLASH: splash10-002f-9300000000-ddb2cb8acc1e01f0c80d PK$NUM_PEAK: 54 PK$PEAK: m/z int. rel.int. 14.09408 18079 37 15.10662 85842 176 26.11272 67507 138 27.12121 345536 707 28.12531 255743 523 29.14052 181560 371 30.13949 21763 45 38.12273 17767 36 39.13382 104415 214 40.10583 41222 84 41.14714 227280 465 42.13896 185636 380 43.14402 488376 999 44.15408 62615 128 53.13158 75609 155 54.14147 10222 21 55.14968 48469 99 58.16743 39103 80 62.08893 111313 228 67.11463 28545 58 68.13913 340043 696 69.16174 91268 187 70.16342 15960 33 71.17732 84692 173 79.12131 23823 49 83.16462 13509 28 87.07825 47070 96 93.11571 23175 47 94.15731 38038 78 95.14783 33257 68 96.16246 51516 105 100.64335 40649 83 104.09582 93849 192 105.15151 12214 25 110.1364 26517 54 123.15056 21362 44 129.09608 27967 57 130.0898 27965 57 132.12037 27957 57 138.14922 81182 166 145.08342 28728 59 146.0954 16382 34 152.13327 23172 47 158.07799 47113 96 172.07118 108744 222 173.07435 90523 185 174.06964 320356 655 180.11466 33951 69 181.16603 57246 117 184.0377 15575 32 186.08312 25932 53 187.08503 27196 56 198.0495 11380 23 200.05254 219587 449 //