MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003147
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003147
RECORD_TITLE: ACETAMINOPHEN; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHIZUMI H, FAC. OF PHARMACY, MEIJO UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ACETAMINOPHEN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H9NO2
CH$EXACT_MASS: 151.06333
CH$SMILES: CC(=O)Nc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
CH$LINK: INCHIKEY
RZVAJINKPMORJF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2020006
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0udi-0900000000-7aa6a54b74b345d91e37
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
151 5 50
152 99.99 999
153 9 90
//