MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006764
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006764
RECORD_TITLE: ISOPRENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ISOPRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H8
CH$EXACT_MASS: 68.06260
CH$SMILES: C=CC(C)=C
CH$IUPAC: InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
CH$LINK: INCHIKEY
RRHGJUQNOFWUDK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2020761
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-014i-9000000000-bd4ffd9bdcd939fd4ea8
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
15 1.96 20
26 4.68 47
27 31.71 317
28 3.65 37
29 2.81 28
39 56.97 570
40 35.45 355
41 35.17 352
42 19.46 195
49 2.06 21
50 9.07 91
51 12.07 121
52 5.89 59
53 76.8 768
54 3.46 35
61 2.25 23
62 3.46 35
63 4.3 43
65 9.17 92
66 7.48 75
67 99.99 999
68 80.54 805
69 4.12 41
//