MassBank Record: JP000475



 1,5-TETRAMETHYLENEPYRAZOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000475
RECORD_TITLE: 1,5-TETRAMETHYLENEPYRAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 1,5-TETRAMETHYLENEPYRAZOLE CH$NAME: 4,5,6,7-TETRAHYDROPYRAZOLO(2,3-A)PYRIDINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H10N2 CH$EXACT_MASS: 122.08440 CH$SMILES: [H]c(n1)c([H])c(C2)n(CCC2)1 CH$IUPAC: InChI=1S/C7H10N2/c1-2-6-9-7(3-1)4-5-8-9/h4-5H,1-3,6H2
AC$INSTRUMENT: MX-1303 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01bc-9600000000-6922b806f5592bd4a833 PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 26 4.4 44 27 15.1 151 38 6.4 64 39 2.67 27 40 6.9 69 41 20.8 208 42 6.7 67 43 3.53 35 45 5.5 55 50 9.2 92 51 9.2 92 52 0.73 7 53 6.7 67 54 5.2 52 55 5.2 52 56 0.38 4 57 3.8 38 58 4.2 42 59 27.2 272 62 0.36 4 63 10.3 103 64 10.1 101 65 20.6 206 66 0.99 10 67 9.7 97 68 3.4 34 77 3.8 38 78 1.03 10 79 4.9 49 80 4.4 44 81 6.1 61 82 0.65 7 91 10.7 107 92 34.5 345 93 13.9 139 94 1.23 12 95 6.7 67 96 3.4 34 104 3.4 34 105 0.44 4 106 3.2 32 107 3 30 118 17.6 176 119 99.99 999 120 60.6 606 121 1.8 18 122 20 200 123 1.8 18 //