MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009174
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009174
RECORD_TITLE: ACETIC ACID; 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$NAME: ACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H4O2
CH$EXACT_MASS: 60.02113
CH$SMILES: CC(O)=O
CH$IUPAC: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
CH$LINK: INCHIKEY
QTBSBXVTEAMEQO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5024394
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$SPLASH: splash10-0007-9000000000-a9a21f72ec25efbc1650
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
13 2.97 30
14 6.75 68
15 27.87 279
16 2.28 23
17 1.26 13
28 2.2 22
29 10.41 104
31 3.68 37
40 1.07 11
41 3.58 36
42 12.14 121
43 99.99 999
44 3.72 37
45 86.74 867
46 1.08 11
60 50.22 502
61 1.02 10
//