MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002359
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002359
RECORD_TITLE: 4-METHYLENE-5-HEXEN-2-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 4-METHYLENE-5-HEXEN-2-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O
CH$EXACT_MASS: 112.08882
CH$SMILES: C=CC(=C)CC(C)O
CH$IUPAC: InChI=1S/C7H12O/c1-4-6(2)5-7(3)8/h4,7-8H,1-2,5H2,3H3
CH$LINK: INCHIKEY
HHQQFJVNLOLQAM-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-3000
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: splash10-014j-9000000000-3056101afa8aa7e43667
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
42 7.01 70
43 31.37 314
45 82.88 829
50 2.5 25
51 4.98 50
52 3.63 36
53 24.91 249
55 2.49 25
58 3.06 31
65 3.21 32
66 3.82 38
67 62.8 628
68 99.99 999
69 16.61 166
70 4.42 44
73 3.29 33
75 2.75 28
77 2.46 25
79 3.68 37
97 19.92 199
112 5.28 53
//