MassBank Record: JP000474



 3,4-TETRAMETHYLENEPYRAZOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000474
RECORD_TITLE: 3,4-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$NAME: 3,4-TETRAMETHYLENEPYRAZOLE CH$NAME: 4,5,6,7-TETRAHYDROBENZO(C)PYRAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H10N2 CH$EXACT_MASS: 122.08440 CH$SMILES: C(C2)Cc(c1)c(C2)nn1 CH$IUPAC: InChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H2,(H,8,9)
AC$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: splash10-006x-9300000000-4f7a2a5d21340febe39d PK$NUM_PEAK: 49 PK$PEAK: m/z int. rel.int. 26 1.3 13 27 5.8 58 28 9.4 94 29 0.11 1 38 1.6 16 39 12.2 122 40 4.1 41 41 0.96 10 42 4.8 48 43 1.8 18 50 1.1 11 51 0.27 3 52 5.8 58 53 4.5 45 54 4.9 49 55 0.26 3 57 1.1 11 60 2.5 25 63 1.6 16 64 0.11 1 65 4.6 46 66 2.8 28 67 9.2 92 68 0.29 3 69 1.9 19 77 2.7 27 78 1.1 11 79 0.11 1 80 2.9 29 81 5.7 57 82 1.4 14 83 0.1 1 91 1.6 16 92 2.1 21 93 6.6 66 94 99.99 999 95 15.5 155 96 1.2 12 107 1.4 14 108 0.04 0 109 1.6 16 110 1.4 14 118 0.4 4 119 0.21 2 120 0.7 7 121 17 170 122 51.4 514 123 0.45 5 124 0.3 3 //