MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007677
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007677
RECORD_TITLE: ISOPROPANOL; 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$NAME: ISOPROPANOL
CH$NAME: 2-METHYLETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H8O
CH$EXACT_MASS: 60.05751
CH$SMILES: CC(C)O
CH$IUPAC: InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
CH$LINK: CAS
67-63-0
CH$LINK: INCHIKEY
KFZMGEQAYNKOFK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7020762
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0002-9000000000-7936ed4d93d5699b0366
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
14 1.33 13
15 5.69 57
19 8.1 81
27 13.08 131
29 8.01 80
31 5.25 53
38 1.6 16
39 5.52 55
41 8.27 83
42 3.56 36
43 18.24 182
44 2.67 27
45 99.99 999
46 2.49 25
59 3.29 33
//