MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007114
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007114
RECORD_TITLE: PENTYL 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$NAME: PENTYL ALCOHOL
CH$NAME: 1-PENTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H12O
CH$EXACT_MASS: 88.08882
CH$SMILES: CCCCCO
CH$IUPAC: InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
CH$LINK: CAS
71-41-0
CH$LINK: INCHIKEY
AMQJEAYHLZJPGS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6021741
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$SPLASH: splash10-0006-9000000000-86ba80dfb4a247abdead
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 2.66 27
26 3.98 40
27 31.65 317
28 10.49 105
29 49.52 495
30 1.92 19
31 56.58 566
38 1.52 15
39 19.93 199
40 3.34 33
41 63.09 631
42 99.99 999
43 25.79 258
44 3.69 37
45 5.58 56
50 1.02 10
51 1.38 14
53 2.23 22
54 1.48 15
55 71.19 712
56 15.84 158
57 22.65 227
58 2 20
60 1.12 11
69 5.73 57
70 49.92 499
71 3.6 36
//
system version 2.2.8-SNAPSHOT