MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006844
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006844
RECORD_TITLE: ISOAMYL 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$NAME: ISOAMYL ALCOHOL
CH$NAME: 3-METHYLBUTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H12O
CH$EXACT_MASS: 88.08882
CH$SMILES: OCCC(C)C
CH$IUPAC: InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
CH$LINK: INCHIKEY
PHTQWCKDNZKARW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3025469
AC$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: splash10-052f-9000000000-bf852ef18965656b4e96
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
15 5.11 51
19 2.09 21
26 2.98 30
27 35.11 351
28 10.43 104
29 49.36 494
30 1.65 17
31 47.77 478
38 2.78 28
39 34.1 341
40 5.06 51
41 84.01 840
42 77.04 770
43 65.91 659
44 5.69 57
45 17.79 178
46 6.82 68
47 1.18 12
50 1.51 15
51 1.88 19
53 4.28 43
54 1.58 16
55 99.99 999
56 32.35 324
57 47.55 476
58 2.29 23
59 1.45 15
69 5.63 56
70 75.07 751
71 5.88 59
//