MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000899
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000899
RECORD_TITLE: 5-PROPYL-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$NAME: 5-PROPYL-2-PYRAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12N2
CH$EXACT_MASS: 112.10005
CH$SMILES: CCCC(C1)NN=C1
CH$IUPAC: InChI=1S/C6H12N2/c1-2-3-6-4-5-7-8-6/h5-6,8H,2-4H2,1H3
CH$LINK: INCHIKEY
YJMMTFQSMKYWSB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30338545
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$SPLASH: splash10-014i-9000000000-b8b5faace7e3b380e8a8
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
26 0.7 7
27 5.2 52
28 3.2 32
29 0.17 2
30 0.7 7
39 3.6 36
41 5 50
42 2.16 22
43 3.2 32
53 0.6 6
54 0.6 6
55 0.07 1
56 0.9 9
68 3.2 32
69 99.99 999
70 0.41 4
83 0.7 7
112 9.2 92
113 0.8 8
//