MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007107
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007107
RECORD_TITLE: PROPYL 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$NAME: PROPYL ALCOHOL
CH$NAME: 1-PROPANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H8O
CH$EXACT_MASS: 60.05751
CH$SMILES: CCCO
CH$IUPAC: InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
CH$LINK: CAS
71-23-8
CH$LINK: INCHIKEY
BDERNNFJNOPAEC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021739
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$SPLASH: splash10-001i-9000000000-425940a0b79c32c50c90
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
15 1.57 16
17 1.66 17
18 7.41 74
26 3.82 38
27 14.22 142
28 3.35 34
29 10.55 106
30 1.66 17
31 99.99 999
32 1.13 11
38 1.17 12
39 4.94 49
41 6.97 70
42 10.59 106
43 3.52 35
45 1.58 16
57 1.12 11
59 14.69 147
60 8.75 88
//
system version 2.2.6-SNAPSHOT