MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001580
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001580
RECORD_TITLE: 1,3-BUTADIENE; 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$NAME: 1,3-BUTADIENE
CH$NAME: BUTADIENE 1,3
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6
CH$EXACT_MASS: 54.04695
CH$SMILES: C=CC=C
CH$IUPAC: InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2
CH$LINK: CAS
106-99-0
CH$LINK: COMPTOX
DTXSID3020203
CH$LINK: INCHIKEY
KAKZBPTYRLMSJV-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:7845
AC$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: splash10-0ufr-9000000000-cddbfceffd529008d5ec
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
12 1.38 14
13 1.61 16
14 2.58 26
15 2.22 22
25 4.6 46
25.5 3.57 36
26 25.2 252
27 60.06 601
28 41.12 411
29 1.17 12
36 1.82 18
37 8.16 82
38 8.66 87
39 99.99 999
40 3.48 35
48 2.19 22
49 10.06 101
50 27.8 278
51 24.01 240
52 11.31 113
53 59.77 598
54 84.58 846
55 3.8 38
//