MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000453
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000453
RECORD_TITLE: PYRAZOLE; 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$NAME: PYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H4N2
CH$EXACT_MASS: 68.03745
CH$SMILES: C1=CNN=C1
CH$IUPAC: InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
CH$LINK: INCHIKEY
WTKZEGDFNFYCGP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2059774
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$SPLASH: splash10-014i-9000000000-03dde37200161cc06070
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
26 2 20
27 3.1 31
28 17.5 175
29 0.22 2
37 3.3 33
38 7.9 79
39 12.1 121
40 1.67 17
41 33.2 332
42 4.6 46
43 1.2 12
66 0.08 1
67 10.1 101
68 99.99 999
69 4.2 42
70 0.3 3
//