MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001579
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001579
RECORD_TITLE: ISOBUTYLENE; 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$NAME: ISOBUTYLENE
CH$NAME: 2-METHYLE-1-PROPENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H8
CH$EXACT_MASS: 56.06260
CH$SMILES: CC(C)=C
CH$IUPAC: InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3
CH$LINK: CAS
115-11-7
CH$LINK: INCHIKEY
VQTUBCCKSQIDNK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9020748
AC$INSTRUMENT: HITACHI RMU-5B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052f-9000000000-8cad3483e092b3b1a3ce
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
14 2 20
15 5.61 56
26 5.84 58
27 19.92 199
28 20.13 201
29 9.71 97
30 1.19 12
37 6.28 63
38 8.94 89
39 52.05 521
40 12.65 127
41 99.99 999
42 3.94 39
49 2.39 24
50 7.02 70
51 5.45 55
52 1.43 14
53 5.63 56
54 2.87 29
55 18.27 183
56 45.1 451
57 2.08 21
//