MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005749
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005749
RECORD_TITLE: IMIDAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: IMIDAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H4N2
CH$EXACT_MASS: 68.03745
CH$SMILES: C1=CN=CN1
CH$IUPAC: InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
CH$LINK: CAS
288-32-4
CH$LINK: INCHIKEY
RAXXELZNTBOGNW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2029616
AC$INSTRUMENT: HITACHI M-80
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-e6b2b7faf77dcf80d593
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
26 2.1 21
28 22.4 224
38 6.2 62
39 9.1 91
40 31.3 313
41 58.6 586
67 10.1 101
68 99.99 999
69 9.7 97
//
system version 2.2.6-SNAPSHOT