MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007113
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007113
RECORD_TITLE: CIS-3-PENTENOL; 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$NAME: CIS-3-PENTENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H10O
CH$EXACT_MASS: 86.07316
CH$SMILES: CCC(O)C=C
CH$IUPAC: InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3
CH$LINK: CAS
616-25-1
CH$LINK: INCHIKEY
VHVMXWZXFBOANQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70862293
AC$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: splash10-0ar0-9000000000-060003f5465df3a7a553
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
15 3.33 33
26 8.51 85
27 56.36 564
28 10.83 108
29 67.44 674
30 2.09 21
31 64.09 641
37 2.38 24
38 6.48 65
39 56.9 569
40 9.87 99
41 69.97 700
42 8.02 80
43 12.31 123
44 14.56 146
45 2.9 29
49 1.28 13
50 6.37 64
51 8.25 83
52 2.71 27
53 26.74 267
54 15.14 151
55 99.99 999
56 90.97 910
57 20.34 203
58 3.4 34
65 1.33 13
66 1.39 14
67 22.83 228
68 88.43 884
69 5.69 57
71 1.56 16
86 6 60
//