MassBank Record: MSBNK-MSSJ-MSJ00067
ACCESSION: MSBNK-MSSJ-MSJ00067
RECORD_TITLE: 3-Nitrobenzyl alcohol; FAB-BE; MS; Negative; Matrix 3-Nitrobenzyl alcohol
DATE: 2018.02.01
AUTHORS: Rika Miyake, Graduate School of Engineering Science, Osaka University
LICENSE: CC BY
COPYRIGHT: Rika Miyake, Graduate School of Engineering Science, Osaka University
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
COMMENT: Sample was injected by flow injection
CH$NAME: 3-Nitrobenzyl alcohol
CH$COMPOUND_CLASS: Non-Natural Product
CH$FORMULA: C7H7NO3
CH$EXACT_MASS: 153.04259
CH$SMILES: OCc(c1)cc(cc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C7H7NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2
CH$LINK: CHEMSPIDER
62479
CH$LINK: INCHIKEY
CWNPOQFCIIFQDM-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:69267
CH$LINK: COMPTOX
DTXSID0060698
AC$INSTRUMENT: JMS-700, JEOL
AC$INSTRUMENT_TYPE: FAB-BE
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION FAB
AC$MASS_SPECTROMETRY: LASER Xe 6 keV
AC$MASS_SPECTROMETRY: MATRIX 3-Nitrobenzyl alcohol
AC$MASS_SPECTROMETRY: RESOLUTION_SETTING 2000
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 1, 2000
PK$SPLASH: splash10-0udi-1902000000-03b49584cad033eaec5b
PK$NUM_PEAK: 113
PK$PEAK: m/z int. rel.int.
16 16544 8
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//