MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008080
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008080
RECORD_TITLE: ALLYL ALCOHOL; 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$NAME: ALLYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H6O
CH$EXACT_MASS: 58.04186
CH$SMILES: C=CCO
CH$IUPAC: InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
CH$LINK: INCHIKEY
XXROGKLTLUQVRX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8020044
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9000000000-4d05af9aa9115ca820bc
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
15 1.22 12
26 1.84 18
27 13.34 133
28 15.91 159
29 29.99 300
30 15.42 154
31 31.58 316
39 18.24 182
40 9.18 92
41 6.24 62
43 4.77 48
45 1.96 20
55 3.67 37
56 1.71 17
57 99.99 999
58 37.09 371
59 2.69 27
//