MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007106
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007106
RECORD_TITLE: ALLYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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: CAS
107-18-6
CH$LINK: INCHIKEY
XXROGKLTLUQVRX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8020044
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a6r-9000000000-50896c7e8c3df69a58ba
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
14 1.14 11
15 1.7 17
25 2.03 20
26 12.63 126
27 26.98 270
28 12.57 126
29 45.24 452
30 14.06 141
31 38.21 382
37 5.24 52
38 7.11 71
39 31.7 317
40 8.13 81
41 6.03 60
42 1.7 17
43 4.94 49
53 1.46 15
55 5.52 55
56 1.26 13
57 99.99 999
58 24.6 246
//