MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007110
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007110
RECORD_TITLE: ISOBUTYL 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$NAME: ISOBUTYL ALCOHOL
CH$NAME: 2-METHYL-1-PROPANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H10O
CH$EXACT_MASS: 74.07316
CH$SMILES: OCC(C)C
CH$IUPAC: InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
CH$LINK: CAS
78-83-1
CH$LINK: INCHIKEY
ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0021759
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$SPLASH: splash10-0006-9000000000-a022508915e78517db51
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
15 4.19 42
26 3.72 37
27 35.98 360
28 4.2 42
29 17.83 178
30 1.33 13
31 54.88 549
32 1.2 12
33 49.19 492
37 1.42 14
38 3.87 39
39 22.24 222
40 4.29 43
41 63.19 632
42 59.12 591
43 99.99 999
44 3.42 34
45 3.08 31
53 1.03 10
55 5.8 58
56 4.27 43
57 5.25 53
59 3.77 38
73 1.59 16
74 10.1 101
//