MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008673
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008673
RECORD_TITLE: PENTANAL; 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$NAME: PENTANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H10O
CH$EXACT_MASS: 86.07316
CH$SMILES: CCCCC=O
CH$IUPAC: InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
CH$LINK: COMPTOX
DTXSID7021653
CH$LINK: INCHIKEY
HGBOYTHUEUWSSQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:8063
AC$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: splash10-002f-9000000000-d38a485c600fbb15d429
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
15 3.42 34
26 5.56 56
27 38.31 383
28 3.03 30
29 53.5 535
31 2.35 24
38 2.68 27
39 17.29 173
41 44.81 448
42 10.89 109
43 16.85 169
44 99.99 999
45 10.21 102
50 1.67 17
51 1.86 19
53 2.56 26
55 4.95 50
57 20.07 201
58 30.28 303
71 1.6 16
//
system version 2.2.8-SNAPSHOT