MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000889
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000889
RECORD_TITLE: 5-METHYL-2-PYRAZOLINE; 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$NAME: 5-METHYL-2-PYRAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H8N2
CH$EXACT_MASS: 84.06875
CH$SMILES: CC(C1)NN=C1
CH$IUPAC: InChI=1S/C4H8N2/c1-4-2-3-5-6-4/h3-4,6H,2H2,1H3
CH$LINK: INCHIKEY
KDTSAMBCRXSULF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70338544
AC$INSTRUMENT: SHIMADZU LKB-2091
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014l-9000000000-294c5107dcb60f35fe1d
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
26 4.3 43
27 15.7 157
28 21.5 215
29 0.91 9
30 2.5 25
38 1.7 17
39 8.6 86
40 0.43 4
41 11 110
42 76.1 761
43 8.6 86
44 0.21 2
50 1.3 13
51 1.5 15
52 1.1 11
53 0.23 2
54 1.6 16
55 2.8 28
56 6.7 67
68 0.14 1
69 99.99 999
70 4.8 48
83 7.2 72
84 4.76 48
85 5.2 52
//