MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007313
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007313
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$NAME: ALLYL ALCOHOL
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a6r-9000000000-cdac996ba92e437d2490
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
14 1.32 13
15 2.56 26
25 2.23 22
26 11.79 118
27 27.97 280
28 17.17 172
29 29.54 295
30 16.26 163
31 44.07 441
37 4.3 43
38 6.08 61
39 29.67 297
40 9.51 95
41 5.91 59
42 1.28 13
43 4.96 50
53 1.57 16
55 5.42 54
56 1.73 17
57 99.99 999
58 35.21 352
59 1.53 15
//