MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005407
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005407
RECORD_TITLE: ALLYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ALLYL ALCOHOL
CH$NAME: 2-PROPEN-1-OL
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-7M
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: splash10-0a7i-9000000000-dace94bd535c06f6ec98
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
15 2.68 27
18 4.23 42
26 9.87 99
27 26.85 269
28 14.21 142
29 47.65 477
30 19.27 193
31 41.66 417
37 3.11 31
38 4.7 47
39 26.56 266
40 8.81 88
41 6.76 68
43 4.41 44
55 5.11 51
56 1.18 12
57 99.99 999
58 20.09 201
59 1.18 12
//